SCHEMBL2833697

SCHEMBL2833697

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

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CACNA1G O43497 7/20 0.39
CACNA1H O95180 7/20 0.39
CACNA1I Q9P0X4 7/20 0.39
PPARG P37231 2/20 0.37
KMT2A Q03164 2/20 0.36
ALDH1A1 P00352 2/20 0.35
MAPT P10636 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HSD17B10 Q99714 1/20 0.35
BRD4 O60885 2/20 0.35
MAPK1 P28482 1/20 0.35
BRS3 P32247 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
SCHEMBL538550 0.91 CACNA1I (0.44) CACNA1GCACNA1HCACNA1IPPARGALDH1A1
SCHEMBL538740 0.89 CACNA1G (0.38) CACNA1GCACNA1HCACNA1IPPARGKMT2A
SCHEMBL537709 0.81 SMN1; SMN2 (0.37) ALDH1A1SMN1; SMN2HSD17B10
SCHEMBL537883 0.75 SMN1; SMN2 (0.39) PPARGKMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL2814282 0.73 KMT2A (0.42) CACNA1GCACNA1HCACNA1IKMT2AALDH1A1
SCHEMBL538580 0.73 CACNA1G (0.41) CACNA1GCACNA1HCACNA1IKMT2AALDH1A1
SCHEMBL2815942 0.72 MC4R (0.43) CACNA1GCACNA1HCACNA1IALDH1A1
SCHEMBL2811925 0.72 CACNA1G (0.42) CACNA1GCACNA1HCACNA1IALDH1A1
SCHEMBL537601 0.72 POLB (0.40) KMT2AALDH1A1MAPTSMN1; SMN2MAPK1
SCHEMBL2809460 0.72 HTR6 (0.43) CACNA1GCACNA1HCACNA1IALDH1A1

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 7 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
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 CACNA1G 4588/4885CACNA1H 4714/4885CACNA1I 4255/4885

“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.