SCHEMBL3201750

SCHEMBL3201750

Cc1cc(C)c(-c2nn[nH]c2N)c(C)c1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.36
KDM4E B2RXH2 2/20 0.36
LMNA P02545 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
NOS3 P29474 1/20 0.32
NOS1 P29475 1/20 0.32
NOS2 P35228 1/20 0.32
CRHR1 P34998 1/20 0.32
TSHR P16473 1/20 0.31
HSD17B10 Q99714 1/20 0.31
NUDT1 P36639 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
POLB P06746 1/20 0.30
CYP2C9 P11712 1/20 0.30

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
SCHEMBL8318484 0.98 ALDH1A1 (0.35) ALDH1A1KDM4ELMNAGAAMAPT
SCHEMBL28590124 0.77 ALDH1A1 (0.33) ALDH1A1KDM4ECRHR1POLBCYP2C9
SCHEMBL21843234 0.73 HSP90AB1 (0.33) ALDH1A1KDM4EGAACRHR1TSHR
SCHEMBL5785398 0.67 GAA (0.38) ALDH1A1KDM4ELMNAGAAMAPT
SCHEMBL5789969 0.65 MAPT (0.46) ALDH1A1KDM4ELMNAGAAMAPT
SCHEMBL17844043 0.63 RPS6KB1 (0.38) ALDH1A1KDM4ELMNAGAAMAPT
SCHEMBL5826626 0.63 AKT2 (0.52) ALDH1A1KDM4E
SCHEMBL317299 0.62 RAPGEF4 (0.50) ALDH1A1KDM4ELMNAGAAMAPT
SCHEMBL6972495 0.62 KDM4E (0.52) ALDH1A1KDM4ELMNAGAAMAPT
SCHEMBL2904246 0.62

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7678793-B2 Azolo triazines and pyrimidines BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2010-03-16 US disclosed
EP-1908764-A1 Azolo triazines and pyrimidines Bristol-Myers Squibb Pharma Company (US) 2008-04-09 EP disclosed
EP-0915880-B1 AZOLO TRIAZINES AND PYRIMIDINES BRISTOL MYERS SQUIBB PHARMA CO (US) 2007-10-10 EP disclosed
US-20060252756-A1 Azolo triazines and pyrimidines BRISTOL-MYERS SQUIBB PHARMA COMPANY. 2006-11-09 US disclosed
US-7094782-B1 Azolo triazines and pyrimidines BRISTOL-MYERS SQUIBB COMPANY (US) 2006-08-22 US disclosed
EP-1344779-A1 Azolo-pyrimidines Bristol-Myers Squibb Pharma Company (US) 2003-09-17 EP disclosed
US-20030008885-A1 Azolo triazines and pyrimidines BRISTOL-MYERS SQUIBB PHARMA COMPANY 2003-01-09 US disclosed
US-6358950-B1 ADMINISTERING (1,5-A)-PYRAZOLO-1,3,5-TRIAZINE DERIVATIVES AS ANXIOLYTIC AGENTS AND ANTIDEPRESSANTS; CORTICOTROPIN RELEASING FACTOR ANTAGONISTS; CARDIOVASCULAR, AUTOIMMUNE, NERVOUS SYSTEM, EATING, AND PSYCHOLOGICAL DISORDERS BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-03-19 US disclosed
US-6313124-B1 AS CORTICOTROPIN RELEASING FACTOR (CRF) ANTAGONISTS USED FOR THERAPY OF ANXIETY, DEPRESSION, AND OTHER PSYCHIATRIC, NEUROLOGICAL DISORDERS AS WELL AS TREATMENT OF IMMUNOLOGICAL, CARDIOVASCULAR OR HEART-RELATED DISEASES DUPONT PHARMACEUTICALS COMPANY 2001-11-06 US disclosed
US-6191131-B1 PSYCHOLOGICAL, NERVOUS SYSTEM DISORDERS DUPONT PHARMACEUTICALS COMPANY 2001-02-20 US disclosed
US-6136809-A (1,5-A)-PYRAZOLO-PYRIMIDINES AND (1,5-A)-1,2,3-TRIAZOLO-PYRIMIDINES FOR TREATMENT OF CARDIOVASVULAR DISORDERS, STRESS AND PSYCHOLOGICAL DISORDERS WITH CORTICOTROPIN RELEASING FACTOR (CRF) ANTAGONIST DUPONT PHARMACEUTICALS (US) 2000-10-24 US disclosed
US-6124289-A TREATING ANXIETY OR DEPRESSION IN MAMMALS DUPONT PHARMACEUTICALS CO. (US) 2000-09-26 US disclosed
US-6060478-A ANTIDEPRESSANTS DUPONT PHARMACEUTICALS (US) 2000-05-09 US disclosed
EP-0915880-A1 AZOLO TRIAZINES AND PYRIMIDINES Du Pont Pharmaceuticals Company (US) 1999-05-19 EP disclosed
WO-1998003510-A1 AZOLO TRIAZINES AND PYRIMIDINES DU PONT PHARMACEUTICALS COMPANY (US) 1998-01-29 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 (2 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-20060252756-A1 Azolo triazines and pyrimidines CRH, CRHR1, CRHR2 ALDH1A1 2046/4885KDM4E 4689/4885LMNA 4599/4885
US-20030008885-A1 Azolo triazines and pyrimidines CRH, CRHR1, CRHR2 ALDH1A1 1805/4885KDM4E 4720/4885LMNA 4594/4885

“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.