SCHEMBL12303239

SCHEMBL12303239

CCOc1ccc(C(C)C)nc1

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NQO1 P15559 1/20 0.50
TSHR P16473 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
LTA4H P09960 2/20 0.39
KDM4E B2RXH2 1/20 0.39
KDM4A O75164 1/20 0.39
KDM5C P41229 1/20 0.39
KDM4D Q6B0I6 1/20 0.39
KDM4C Q9H3R0 1/20 0.39

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
SCHEMBL31680721 0.85 NQO1 (0.46) NQO1TSHRTDP1LTA4H
SCHEMBL13678320 0.85 MAPT (0.44) LTA4H
SCHEMBL18501500 0.85 CYP2D6 (0.44) LTA4HKDM4E
SCHEMBL11951666 0.82 HPGD (0.41) TSHRKDM4E
SCHEMBL15481027 0.82 CACNA1I (0.39) KDM4EKDM4AKDM5CKDM4DKDM4C
SCHEMBL25384115 0.82 NQO1 (0.48) NQO1TSHRTDP1LTA4HKDM4E
SCHEMBL19965680 0.82 NQO1 (0.43) NQO1TSHRTDP1LTA4H
SCHEMBL24595048 0.81 KDM4E (0.37) KDM4EKDM4AKDM5CKDM4DKDM4C
SCHEMBL18174953 0.80 NR5A1 (0.50) TSHRLTA4HKDM4E
SCHEMBL23489320 0.79 NR1I2 (0.43) KDM4EKDM4AKDM5CKDM4DKDM4C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11827640-B2 Substituted pyrazolo[1,5-a]pyrimidines as CFTR modulators ILDONG PHARMACEUTICAL CO., LTD. (KR) 2023-11-28 US disclosed
US-11827640-B2 Substituted pyrazolo[1,5-a]pyrimidines as CFTR modulators ILDONG PHARMACEUTICAL CO., LTD. (KR) 2023-11-28 US disclosed
US-10399933-B2 Inhibitors of indoleamine-2,3-dioxygenase for the treatment of cancer BRISTOL-MYERS SQUIBB COMPANY (US) 2019-09-03 US disclosed
US-10399932-B2 Inhibitors of indoleamine-2,3-dioxygenase for the treatment of cancer BRISTOL-MYERS SQUIBB COMPANY (US) 2019-09-03 US disclosed
US-10167254-B2 IDO inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2019-01-01 US disclosed
US-20180079712-A1 INHIBITORS OF INDOLEAMINE-2,3-DIOXYGENASE FOR THE TREATMENT OF CANCER BRISTOL MYERS SQUIBB CO (US) 2018-03-22 US disclosed
US-20180079712-A1 INHIBITORS OF INDOLEAMINE-2,3-DIOXYGENASE FOR THE TREATMENT OF CANCER BRISTOL MYERS SQUIBB CO (US) 2018-03-22 US disclosed
US-20180072660-A1 INHIBITORS OF INDOLEAMINE-2,3-DIOXYGENASE FOR THE TREATMENT OF CANCER BRISTOL MYERS SQUIBB CO (US) 2018-03-15 US disclosed
US-20180072660-A1 INHIBITORS OF INDOLEAMINE-2,3-DIOXYGENASE FOR THE TREATMENT OF CANCER BRISTOL MYERS SQUIBB CO (US) 2018-03-15 US disclosed
US-9796733-B2 Imidazo-pyrazine derivatives useful as soluble guanylate cyclase activators MERCK SHARP & DOHME CORP. (US) 2017-10-24 US disclosed
US-20140349993-A1 SUBSTITUTED BICYCLIC AZA-HETEROCYCLES AND ANALOGUES AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2014-11-27 US disclosed
US-20140288052-A1 SUBSTITUTED BICYCLIC AZA-HETEROCYCLES AND ANALOGUES AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2014-09-25 US disclosed
US-20140080704-A1 SUBSTITUTED VINYL AND ALKINYL CYCLOHEXENOLS AS ACTIVE AGENTS AGAINST ABIOTIC STRESS IN PLANTS BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-03-20 US disclosed
US-20140080704-A1 SUBSTITUTED VINYL AND ALKINYL CYCLOHEXENOLS AS ACTIVE AGENTS AGAINST ABIOTIC STRESS IN PLANTS BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-03-20 US disclosed
US-20120315247-A1 COMPOUNDS COMPRISING A SPIRO-RING AND METHODS OF USE SUNSHINE LAKE PHARMA CO., LTD. (CN) 2012-12-13 US disclosed
US-8293897-B2 Compounds comprising a spiro-ring and methods of use Xi, Ning (US) 2012-10-23 US disclosed
US-20120245136-A1 CHROMAN-SPIROCYCLIC PIPERIDINE AMIDES AS MODULATORS OF ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED 2012-09-27 US disclosed
US-20120245136-A1 CHROMAN-SPIROCYCLIC PIPERIDINE AMIDES AS MODULATORS OF ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED 2012-09-27 US disclosed
US-20110237576-A1 2-AMINOPYRIMIDIN-4-ONE AND 2-AMINOPYRIDINE DERIVATIVES BOTH HAVING BACE1-INHIBITING ACTIVITY SHIONOGI & CO., LTD. (JP) 2011-09-29 US disclosed
US-20100093727-A1 COMPOUNDS AND METHODS OF USE SUNSHINE LAKE PHARMA CO., LTD. (CN) 2010-04-15 US 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 (13 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-10167254-B2 IDO inhibitors IDO1, IDO2, INMT NQO1 30/4885TSHR 4369/4885TDP1 1022/4885
US-11827640-B2 Substituted pyrazolo[1,5-a]pyrimidines as CFTR modulators PDE4A, PDE4B, PDE5A NQO1 843/4885TSHR 2647/4885TDP1 264/4885
US-20140288052-A1 SUBSTITUTED BICYCLIC AZA-HETEROCYCLES AND ANALOGUES AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 NQO1 60/4885TSHR 1906/4885TDP1 516/4885
US-20100093727-A1 COMPOUNDS AND METHODS OF USE PRKDC, PRKACA, PRKX NQO1 1467/4885TSHR 2661/4885TDP1 1177/4885
US-20120315247-A1 COMPOUNDS COMPRISING A SPIRO-RING AND METHODS OF USE CDC42BPG, HRAS, PTPRJ NQO1 873/4885TSHR 2424/4885TDP1 1685/4885
US-20140349993-A1 SUBSTITUTED BICYCLIC AZA-HETEROCYCLES AND ANALOGUES AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 NQO1 60/4885TSHR 1906/4885TDP1 516/4885
US-20120245136-A1 CHROMAN-SPIROCYCLIC PIPERIDINE AMIDES AS MODULATORS OF ION CHANNELS KCNJ2, KCNJ1, KCNC1 NQO1 1261/4885TSHR 1195/4885TDP1 3694/4885
US-10399932-B2 Inhibitors of indoleamine-2,3-dioxygenase for the treatment of cancer IDO1, IDO2, INMT NQO1 47/4885TSHR 3618/4885TDP1 1708/4885
US-20110237576-A1 2-AMINOPYRIMIDIN-4-ONE AND 2-AMINOPYRIDINE DERIVATIVES BOTH HAVING BACE1-INHIBITING ACTIVITY BACE1, APP, BACE2 NQO1 849/4885TSHR 4179/4885TDP1 989/4885
US-20180072660-A1 INHIBITORS OF INDOLEAMINE-2,3-DIOXYGENASE FOR THE TREATMENT OF CANCER IDO1, IDO2, INMT NQO1 47/4885TSHR 3618/4885TDP1 1708/4885
US-10399933-B2 Inhibitors of indoleamine-2,3-dioxygenase for the treatment of cancer IDO1, IDO2, INMT NQO1 47/4885TSHR 3618/4885TDP1 1708/4885
US-20140080704-A1 SUBSTITUTED VINYL AND ALKINYL CYCLOHEXENOLS AS ACTIVE AGENTS AGAINST ABIOTIC STRESS IN PLANTS CBR3, CYP4X1, CBR1 NQO1 32/4885TSHR 3611/4885TDP1 3343/4885
US-20180079712-A1 INHIBITORS OF INDOLEAMINE-2,3-DIOXYGENASE FOR THE TREATMENT OF CANCER IDO1, IDO2, INMT NQO1 47/4885TSHR 3618/4885TDP1 1708/4885

“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.