SCHEMBL3188128

SCHEMBL3188128

Cc1ccc(-c2cnn3c(Cl)cc(C)nc23)c(Cl)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 11/20 0.62
RAB9A P51151 10/20 0.62
KDM4E B2RXH2 8/20 0.62
ALDH1A1 P00352 6/20 0.62
CRHR1 P34998 2/20 0.49
NPC1 O15118 9/20 0.46
MEN1 O00255 6/20 0.46
KMT2A Q03164 6/20 0.46
HPGD P15428 5/20 0.46
NPSR1 Q6W5P4 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
HSD17B10 Q99714 5/20 0.43
L3MBTL1 Q9Y468 3/20 0.43
HTT P42858 2/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
TP53 P04637 2/20 0.42
MAPK1 P28482 2/20 0.42

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
SCHEMBL3189871 0.86 CRHR1 (0.47) MAPTRAB9AKDM4EALDH1A1CRHR1
SCHEMBL5786298 0.77 MAPT (0.61) MAPTRAB9AKDM4EALDH1A1CRHR1
SCHEMBL3198742 0.76 CRHR1 (0.54) MAPTRAB9AKDM4EALDH1A1CRHR1
SCHEMBL31465393 0.76 KDM4E (0.59) MAPTRAB9AKDM4EALDH1A1CRHR1
SCHEMBL11931415 0.75 RAB9A (0.76) MAPTRAB9AKDM4EALDH1A1NPC1
SCHEMBL5872518 0.75 CRHR1 (0.58) MAPTRAB9AKDM4EALDH1A1CRHR1
SCHEMBL19455177 0.73 MAPT (0.59) MAPTRAB9AKDM4EALDH1A1NPC1
SCHEMBL16946660 0.70 MAPT (0.77) MAPTRAB9AKDM4EALDH1A1NPC1
SCHEMBL12953199 0.70 MAPT (0.56) MAPTRAB9AKDM4EALDH1A1NPC1
SCHEMBL11507014 0.70 NPC1 (0.46) RAB9ANPC1HPGDNPSR1CYP1A2

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 16 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-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 MAPT 2671/4885RAB9A 4229/4885KDM4E 4689/4885
US-20030008885-A1 Azolo triazines and pyrimidines CRH, CRHR1, CRHR2 MAPT 2786/4885RAB9A 4323/4885KDM4E 4720/4885

“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.