SCHEMBL538550

SCHEMBL538550

CSc1nc2c3c(n[nH]c3n1)C(C(=O)NCc1ccccc1)CN2Cc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CACNA1I Q9P0X4 15/20 0.44
CACNA1G O43497 13/20 0.44
CACNA1H O95180 13/20 0.44
PPARG P37231 1/20 0.43
ALDH1A1 P00352 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HSD17B10 Q99714 1/20 0.37
CYP3A4 P08684 1/20 0.37

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
SCHEMBL2833697 0.91 CACNA1G (0.39) CACNA1ICACNA1GCACNA1HPPARGALDH1A1
SCHEMBL538740 0.85 CACNA1G (0.38) CACNA1ICACNA1GCACNA1HPPARGALDH1A1
SCHEMBL2811925 0.83 CACNA1G (0.42) CACNA1ICACNA1GCACNA1HALDH1A1
SCHEMBL2809460 0.82 HTR6 (0.43) CACNA1ICACNA1GCACNA1HALDH1A1
SCHEMBL2812069 0.82 BRS3 (0.41) CACNA1ICACNA1GCACNA1HALDH1A1
SCHEMBL2811162 0.81 USP2 (0.39) CACNA1ICACNA1GCACNA1HALDH1A1
SCHEMBL538580 0.81 CACNA1G (0.41) CACNA1ICACNA1GCACNA1HALDH1A1SMN1; SMN2
SCHEMBL2811656 0.81 RET (0.40) CACNA1ICACNA1GCACNA1HALDH1A1
SCHEMBL2814282 0.81 KMT2A (0.42) CACNA1ICACNA1GCACNA1HALDH1A1SMN1; SMN2
SCHEMBL2815942 0.81 MC4R (0.43) CACNA1ICACNA1GCACNA1HALDH1A1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8343983-B2 Substituted pyrazolo-pyrimidine compounds ARQULE, INC. (US) 2013-01-01 US disclosed
US-8343983-B2 Substituted pyrazolo-pyrimidine compounds ARQULE, INC. (US) 2013-01-01 US disclosed
US-8343983-B2 Substituted pyrazolo-pyrimidine compounds ARQULE, INC. (US) 2013-01-01 US disclosed
EP-2414359-A1 PERI-FUSED PYRAZOLO-PYRIMIDINE COMPOUNDS ArQule, Inc. (US) 2012-02-08 EP disclosed
WO-2010114905-A1 PERI-FUSED PYRAZOLO-PYRIMIDINE COMPOUNDS ARQULE, INC. (US) 2010-10-07 WO disclosed
WO-2010114905-A1 PERI-FUSED PYRAZOLO-PYRIMIDINE COMPOUNDS ARQULE, INC. (US) 2010-10-07 WO disclosed
US-20100249110-A1 SUBSTITUTED PYRAZOLO-PYRIMIDINE COMPOUNDS ARQULE, INC. (US) 2010-09-30 US disclosed
US-20100249110-A1 SUBSTITUTED PYRAZOLO-PYRIMIDINE COMPOUNDS ARQULE, INC. (US) 2010-09-30 US disclosed
US-20100249110-A1 SUBSTITUTED PYRAZOLO-PYRIMIDINE COMPOUNDS ARQULE, INC. (US) 2010-09-30 US 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 (1 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-20100249110-A1 SUBSTITUTED PYRAZOLO-PYRIMIDINE COMPOUNDS DPYD, TYMP, TP53 CACNA1I 4255/4885CACNA1G 4588/4885CACNA1H 4714/4885

“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.