SCHEMBL3206424

SCHEMBL3206424

Cc1ccc(-c2c(C)n[nH]c2N)c(C)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALPL P05186 2/20 0.42
CA9 Q16790 1/20 0.42
GAA P10253 3/20 0.40
ALDH1A1 P00352 3/20 0.40
LMNA P02545 3/20 0.40
POLB P06746 1/20 0.40
MAPT P10636 2/20 0.38
FGFR1 P11362 1/20 0.38
FGFR2 P21802 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.37
NPC1 O15118 3/20 0.37
HPGD P15428 2/20 0.37
RAB9A P51151 2/20 0.37
KDM4E B2RXH2 1/20 0.37
CHEK1 O14757 1/20 0.37
AKT2 P31751 1/20 0.37
ALOX15 P16050 2/20 0.36
TDP1 Q9NUW8 1/20 0.35
P2RX7 Q99572 1/20 0.35
MEN1 O00255 2/20 0.35

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
SCHEMBL3198993 0.83 IKBKB (0.39) GAAALDH1A1LMNAPOLBMAPT
SCHEMBL2402669 0.81 DRD1 (0.47) GAAALDH1A1MAPTKDM4ETDP1
SCHEMBL5785398 0.78 GAA (0.38) GAAALDH1A1LMNAPOLBMAPT
SCHEMBL842957 0.78 SMN1; SMN2 (0.47) GAAALDH1A1LMNAPOLBMAPT
SCHEMBL23149673 0.73 ILK (0.41) ALPLALDH1A1CHEK1AKT2P2RX7
SCHEMBL28151206 0.73 HSP90AA1 (0.45) ALPLGAAALDH1A1LMNAPOLB
SCHEMBL20722970 0.72 AKT2 (0.42) GAAALDH1A1LMNAMAPTCHEK1
SCHEMBL6932113 0.71 TDP1 (0.52) GAAALDH1A1LMNAMAPTFGFR1
SCHEMBL1057636 0.71 AKT2 (0.66) ALDH1A1LMNAMAPTSMN1; SMN2NPC1
SCHEMBL4856665 0.70 ALPL (0.58) ALPLCA9GAAALDH1A1LMNA

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 17 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-B1 Azolo-pyrimidines BRISTOL MYERS SQUIBB PHARMA CO (US) 2005-08-10 EP disclosed
EP-1049699-B1 PYRAZOLOTRIAZINES AS CRF ANTAGONISTS BRISTOL MYERS SQUIBB PHARMA CO (US) 2004-04-21 EP 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 ALPL 1510/4885CA9 4631/4885GAA 3664/4885
US-20030008885-A1 Azolo triazines and pyrimidines CRH, CRHR1, CRHR2 ALPL 1584/4885CA9 4634/4885GAA 3667/4885

“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.