SCHEMBL45348

SCHEMBL45348

NCc1ccc(-n2cccn2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.58
LMNA P02545 1/20 0.57
MAPK1 P28482 2/20 0.53
KDM4E B2RXH2 1/20 0.53
ALDH1A1 P00352 1/20 0.53
DRD2 P14416 1/20 0.51
DRD4 P21917 1/20 0.51
DRD3 P35462 1/20 0.51
CHRM1 P11229 2/20 0.48
MPO P05164 1/20 0.46
CHRNA7 P36544 1/20 0.45
CHRNA10 Q9GZZ6 1/20 0.45
CHRNA9 Q9UGM1 1/20 0.45
MEN1 O00255 2/20 0.44
MAPT P10636 2/20 0.44
KMT2A Q03164 2/20 0.44
PKM P14618 1/20 0.44
BRS3 P32247 1/20 0.42
ADRB2 P07550 1/20 0.41
SCN9A Q15858 1/20 0.41

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
Hydrochloric Acid SCHEMBL5659272 0.98 NOTUM (0.56) NOTUMLMNAMAPK1KDM4EALDH1A1
SCHEMBL1793682 0.84 LMNA (0.78) NOTUMLMNAMAPK1KDM4EALDH1A1
SCHEMBL4341894 0.83 NOTUM (0.78) NOTUMLMNAMAPK1KDM4EALDH1A1
Hydrochloric Acid SCHEMBL5656437 0.82 LMNA (0.76) NOTUMLMNAMAPK1KDM4EALDH1A1
SCHEMBL3118178 0.81 NOTUM (0.58) NOTUMLMNAMAPK1KDM4EALDH1A1
SCHEMBL711055 0.81 NOTUM (0.63) NOTUMLMNAMAPK1KDM4EALDH1A1
SCHEMBL22964275 0.81 NOTUM (0.58) NOTUMLMNAMAPK1KDM4EALDH1A1
SCHEMBL533560 0.81 NOTUM (0.58) NOTUMLMNAMAPK1KDM4EALDH1A1
SCHEMBL6879933 0.81 NOTUM (0.58) NOTUMLMNAMAPK1KDM4EALDH1A1
SCHEMBL272854 0.81 NOTUM (0.58) NOTUMLMNAMAPK1KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104447557-B A kind of preparation method of N arylpyrazoles compound and N aryl imidazoles 苏州大学 2017-08-25 CN claimed
EP-4069697-B1 CRF RECEPTOR ANTAGONISTS AND METHODS OF USE NEUROCRINE BIOSCIENCES INC (US) 2025-07-16 EP disclosed
US-20240383900-A1 SUBSTITUTED PYRAZOLO [1,5-A]PYRIMIDINE-7-AMINE COMPOUNDS AS CDK INHIBITORS AND THEIR THERAPEUTIC USE Carrick Therapeutics Limited (IE) 2024-11-21 US disclosed
US-12049461-B2 4,6-di- and 2,4,6-trisubstituted quinazoline derivatives useful for treating viral infections GILEAD SCIENCES, INC. (US) 2024-07-30 US disclosed
US-12043623-B2 Purinones as ubiquitin-specific protease 1 inhibitors FORMA THERAPEUTICS, INC. (US) 2024-07-23 US disclosed
US-12043623-B2 Purinones as ubiquitin-specific protease 1 inhibitors FORMA THERAPEUTICS, INC. (US) 2024-07-23 US disclosed
US-12043623-B2 Purinones as ubiquitin-specific protease 1 inhibitors FORMA THERAPEUTICS, INC. (US) 2024-07-23 US disclosed
US-20240239808-A1 INHIBITING UBIQUITIN-SPECIFIC PROTEASE 1 (USP1) FORMA THERAPEUTICS, INC. (US) 2024-07-18 US disclosed
US-20240239808-A1 INHIBITING UBIQUITIN-SPECIFIC PROTEASE 1 (USP1) FORMA THERAPEUTICS, INC. (US) 2024-07-18 US disclosed
US-20240239808-A1 INHIBITING UBIQUITIN-SPECIFIC PROTEASE 1 (USP1) FORMA THERAPEUTICS, INC. (US) 2024-07-18 US disclosed
WO-2007064749-A1 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS AND MICROBIAL DISEASES SCHERING CORPORATION (US) 2007-06-07 WO disclosed
EP-1773821-A2 CHEMICAL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM FOR THE TREATMENT OF INFLAMMATORY DISORDERS SCHERING CORPORATION (US) 2007-04-18 EP disclosed
CN-1910158-A Heterocyclic sulfonamide inhibitors of beta amyloid production containing an azole WYETH CORP (US) 2007-02-07 CN disclosed
US-20060252778-A1 novel hydantoin derivatives to inhibit matrix metalloproteinases (MMPs), a disintegrin and metalloproteases (ADAMs) and/or tumor necrosis factor alpha converting enzyme (TACE) and in so doing prevent the release of tumor necrosis factor alpha (TNF- alpha ); autoimmune diseases; side effect reduction MERCK SHARP & DOHME CORP. 2006-11-09 US disclosed
US-20060178366-A1 Compounds for the treatment of inflammatory disorders SCHERING CORPORATION 2006-08-10 US disclosed
US-20060178366-A1 Compounds for the treatment of inflammatory disorders SCHERING CORPORATION 2006-08-10 US disclosed
WO-2005121130-A2 CHEMICAL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM FOR THE TREATMENT OF INFLAMMATORY DISORDERS SCHERING CORPORATION (US) 2005-12-22 WO disclosed
WO-2005121130-A2 CHEMICAL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM FOR THE TREATMENT OF INFLAMMATORY DISORDERS SCHERING CORPORATION (US) 2005-12-22 WO disclosed
CN-1674892-A Hetero biaryl derivatives as matrix metalloproteinase inhibitors WARNER LAMBERT CO (US) 2005-09-28 CN disclosed
CN-1046275-C 2-methoxyiminophenyl-N-methylacetamide derivatives, process for their preparation, their use and compositions containing them BASF AG (DE) 1999-11-10 CN 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-12049461-B2 4,6-di- and 2,4,6-trisubstituted quinazoline derivatives useful for treating viral infections NR3C1, NR3C2, NR4A1 NOTUM 3406/4885LMNA 2251/4885MAPK1 2366/4885
US-20060178366-A1 Compounds for the treatment of inflammatory disorders MMP12, ADAMTS1, TNF NOTUM 1457/4885LMNA 353/4885MAPK1 2191/4885
US-20060252778-A1 novel hydantoin derivatives to inhibit matrix metalloproteinases (MMPs), a disintegrin and metalloproteases (ADAMs) and/or tumor necrosis factor alpha converting enzyme (TACE) and in so doing prevent the release of tumor necrosis factor alpha (TNF- alpha ); autoimmune diseases; side effect reduction ADAM17, ADAMTS1, ADAM10 NOTUM 1062/4885LMNA 742/4885MAPK1 2607/4885
US-20240383900-A1 SUBSTITUTED PYRAZOLO [1,5-A]PYRIMIDINE-7-AMINE COMPOUNDS AS CDK INHIBITORS AND THEIR THERAPEUTIC USE CDK3, CDK1, CDK2 NOTUM 4598/4885LMNA 1191/4885MAPK1 352/4885
US-20240239808-A1 INHIBITING UBIQUITIN-SPECIFIC PROTEASE 1 (USP1) USP1, USP2, USP3 NOTUM 2354/4885LMNA 3608/4885MAPK1 841/4885
US-12043623-B2 Purinones as ubiquitin-specific protease 1 inhibitors USP1, UBA1, UBXN1 NOTUM 4073/4885LMNA 2181/4885MAPK1 1553/4885

“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.