SCHEMBL3198993

SCHEMBL3198993

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 2/20 0.39
ALDH1A1 P00352 2/20 0.38
POLB P06746 2/20 0.38
GAA P10253 2/20 0.38
LMNA P02545 1/20 0.38
NPC1 O15118 4/20 0.37
RAB9A P51151 3/20 0.37
TP53 P04637 2/20 0.37
HPGD P15428 2/20 0.37
MEN1 O00255 2/20 0.37
MAPT P10636 2/20 0.37
KMT2A Q03164 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
USP2 O75604 1/20 0.37
ALOX15 P16050 1/20 0.37
NFKB1 P19838 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 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
SCHEMBL28151206 0.87 HSP90AA1 (0.45) IKBKBALDH1A1POLBGAALMNA
SCHEMBL9912391 0.87 CHEK1 (0.44) IKBKBALDH1A1POLBGAANPC1
SCHEMBL3206424 0.83 ALPL (0.42) ALDH1A1POLBGAALMNANPC1
SCHEMBL1868350 0.82 HSP90AA1 (0.48) ALDH1A1GAALMNATP53HPGD
SCHEMBL10926840 0.80 ALDH1A1 (0.47) ALDH1A1POLBLMNANPC1RAB9A
SCHEMBL842957 0.75 SMN1; SMN2 (0.47) IKBKBALDH1A1POLBGAALMNA
SCHEMBL15742048 0.75 IKBKB (0.62) IKBKBALDH1A1NPC1RAB9AMAPT
SCHEMBL9610120 0.74 MEN1 (0.43) IKBKBALDH1A1POLBGAALMNA
SCHEMBL11133271 0.73 GAA (0.40) ALDH1A1POLBGAALMNANPC1
SCHEMBL1248139 0.73 IKBKB (0.59) IKBKBALDH1A1GAALMNATP53

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
EP-1049699-A1 AZOLO TRIAZINES AND PYRIMIDINES Du Pont Pharmaceuticals Company (US) 2000-11-08 EP 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
WO-1999038868-A1 AZOLO TRIAZINES AND PYRIMIDINES DU PONT PHARMACEUTICALS COMPANY (US) 1999-08-05 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 IKBKB 1262/4885ALDH1A1 2046/4885POLB 2010/4885
US-20030008885-A1 Azolo triazines and pyrimidines CRH, CRHR1, CRHR2 IKBKB 1293/4885ALDH1A1 1805/4885POLB 2035/4885

“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.