SCHEMBL583616

SCHEMBL583616

Cc1cc(C#N)cc(Cl)n1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 4/20 0.48
KDM4E B2RXH2 2/20 0.38
VCAM1 P19320 1/20 0.38
LMNA P02545 1/20 0.37
ADORA2A P29274 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
PPARG P37231 1/20 0.37
STAT3 P40763 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
NR2E3 Q9Y5X4 1/20 0.37
NCOR2 Q9Y618 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1179216 0.84 KDM4E (0.45) GRM5KDM4EALDH1A1MEN1KMT2A
SCHEMBL901915 0.84 GRM5 (0.46) GRM5VCAM1MEN1KMT2A
SCHEMBL1043930 0.78 SMN1; SMN2 (0.38) GRM5KDM4ELMNAADORA2AALDH1A1
SCHEMBL16976904 0.76 KDM4E (0.39) GRM5KDM4EMEN1KMT2A
SCHEMBL13045682 0.74 GRM5 (0.41) GRM5VCAM1MEN1KMT2A
SCHEMBL27919228 0.74 TTR (0.45) GRM5KDM4ELMNAMEN1KMT2A
SCHEMBL18297112 0.74 LMNA (0.41) GRM5KDM4ELMNAALDH1A1HPGD
SCHEMBL4930877 0.74 MEN1 (0.40) GRM5KDM4ELMNAMEN1KMT2A
SCHEMBL11620108 0.74 GRM5 (0.41) GRM5VCAM1
SCHEMBL955626 0.74 NOS3 (0.52) GRM5KDM4EALDH1A1HPGDPPARG

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 107 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4655296-A1 CBL-B INHIBITORS Aurigene Oncology Limited (IN) 2025-12-03 EP disclosed
CN-115916765-B Pyridine or pyrimidine derivative and preparation method and application thereof 浙江海正药业股份有限公司 2025-04-18 CN disclosed
US-20250074895-A1 CDK2 INHIBITORS AND METHODS OF MAKING AND USING SAME BLUEPRINT MEDICINES CORPORATION 2025-03-06 US disclosed
WO-2024156938-A1 CBL-B INHIBITORS ORION CORPORATION (FI) 2024-08-02 WO disclosed
WO-2024059204-A1 HETEROARYL ANALOGS AS MGLU5 NEGATIVE ALLOSTERIC MODULATORS AND METHODS OF MAKING AND USING THE SAME VANDERBILT UNIVERSITY (US) 2024-03-21 WO disclosed
US-20230092163-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY NOVARTIS PHARMA AG (CH) 2023-03-23 US disclosed
US-20220259193-A1 KCNT1 INHIBITORS AND METHODS OF USE PRAXIS PRECISION MEDICINES, INC. (US) 2022-08-18 US disclosed
US-20220259193-A1 KCNT1 INHIBITORS AND METHODS OF USE PRAXIS PRECISION MEDICINES, INC. (US) 2022-08-18 US disclosed
EP-3983383-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY IFM Due, Inc. (US) 2022-04-20 EP disclosed
CN-114269340-A KCNT1 inhibitors and methods of use 普拉克西斯精密药物股份有限公司 2022-04-01 CN disclosed
US-20080161365-A1 e.g. 4-{3-fluoro-3-[2-methyl-6-(3-trifluoromethyl-benzylcarbamoyl)-pyridin-4-yl]-propyl}-benzoic acid; collagenases inhibitor; osteoarthritis or rheumatoid arthritis, heart failure, breast cancer metastasis, and other diseases that are mediated by MMP-13 overactivity PFIZER INC. (US) 2008-07-03 US disclosed
US-20070213316-A1 Compounds that are effective inhibitors of beta-secretase; inhibitors of beta-secretase-mediated cleavage of amyloid precursor proteins; effective inhibitors of A beta production, and/or are effective to reduce amyloid beta deposits or plaques; treatment of disorders such as Alzheimer's Disease ELAN PHARMACEUTICALS, INC. 2007-09-13 US disclosed
US-20070213316-A1 Compounds that are effective inhibitors of beta-secretase; inhibitors of beta-secretase-mediated cleavage of amyloid precursor proteins; effective inhibitors of A beta production, and/or are effective to reduce amyloid beta deposits or plaques; treatment of disorders such as Alzheimer's Disease ELAN PHARMACEUTICALS, INC. 2007-09-13 US disclosed
US-20070213316-A1 Compounds that are effective inhibitors of beta-secretase; inhibitors of beta-secretase-mediated cleavage of amyloid precursor proteins; effective inhibitors of A beta production, and/or are effective to reduce amyloid beta deposits or plaques; treatment of disorders such as Alzheimer's Disease ELAN PHARMACEUTICALS, INC. 2007-09-13 US disclosed
US-7176242-B2 N,N′-substituted-1,3-diamino-2-hydroxypropane derivatives ELAN PHARMACEUTICALS, INC. (US) 2007-02-13 US disclosed
US-7176242-B2 N,N′-substituted-1,3-diamino-2-hydroxypropane derivatives ELAN PHARMACEUTICALS, INC. (US) 2007-02-13 US disclosed
US-7176242-B2 N,N′-substituted-1,3-diamino-2-hydroxypropane derivatives ELAN PHARMACEUTICALS, INC. (US) 2007-02-13 US disclosed
EP-1453789-A2 N,N'-SUBSTITUTED-1,3-DIAMINO-2-HYDROXYPROPANE DERIVATIVES Elan Pharmaceuticals, Inc. (US) 2004-09-08 EP disclosed
US-20040171881-A1 N,N'-substituted-1,3-diamino-2-hydroxypropane derivatives PHARMACIA & UPJOHN COMPANY 2004-09-02 US disclosed
WO-2003040096-A2 N, N'-SUBSTITUTED-1,3-DIAMINO-2-HYDROXYPROPANE DERIVATIVES ELAN PHARMACEUTICALS, INC. (US) 2003-05-15 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080161365-A1 e.g. 4-{3-fluoro-3-[2-methyl-6-(3-trifluoromethyl-benzylcarbamoyl)-pyridin-4-yl]-propyl}-benzoic acid; collagenases inhibitor; osteoarthritis or rheumatoid arthritis, heart failure, breast cancer metastasis, and other diseases that are mediated by MMP-13 overactivity MMP13, MMP9, MMP11 GRM5 2575/4885KDM4E 521/4885VCAM1 2028/4885
US-20250074895-A1 CDK2 INHIBITORS AND METHODS OF MAKING AND USING SAME CDK2, CDK20, CDK2AP1 GRM5 3937/4885KDM4E 1754/4885VCAM1 2852/4885
US-20230092163-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY STING1, CGAS, IRF3 GRM5 1018/4885KDM4E 3667/4885VCAM1 2788/4885
US-20040171881-A1 N,N'-substituted-1,3-diamino-2-hydroxypropane derivatives BACE1, BACE2, PSEN1 GRM5 952/4885KDM4E 4309/4885VCAM1 3842/4885
US-20070213316-A1 Compounds that are effective inhibitors of beta-secretase; inhibitors of beta-secretase-mediated cleavage of amyloid precursor proteins; effective inhibitors of A beta production, and/or are effective to reduce amyloid beta deposits or plaques; treatment of disorders such as Alzheimer's Disease BACE1, BACE2, APP GRM5 1334/4885KDM4E 4082/4885VCAM1 3540/4885
US-20220259193-A1 KCNT1 INHIBITORS AND METHODS OF USE KCNT1, KCNT2, KCNQ2 GRM5 459/4885KDM4E 1355/4885VCAM1 3556/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.