SCHEMBL2809850

SCHEMBL2809850

COc1ccc(CN2CCCc3n[nH]c4nc(N5CCCC5)nc2c34)cc1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BRS3 P32247 1/20 0.42
GALR2 O43603 2/20 0.40
CCNE2 O96020 1/20 0.39
CCNE1 P24864 1/20 0.39
CDK2 P24941 1/20 0.39
MAPK1 P28482 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
GAA P10253 1/20 0.38
TYMS P04818 4/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CASP1 P29466 2/20 0.38
CASP4 P49662 2/20 0.38
CASP5 P51878 2/20 0.38
HDAC1 Q13547 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
GALR1 P47211 1/20 0.37
GBA1 P04062 1/20 0.37
ACP1 P24666 1/20 0.36

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
SCHEMBL2810300 0.99 BRS3 (0.44) BRS3GALR2CCNE2CCNE1CDK2
SCHEMBL537803 0.92 MEN1 (0.43) BRS3MAPK1SMN1; SMN2GAACYP2C9
SCHEMBL2808435 0.91 SIGMAR1 (0.48) MAPK1SMN1; SMN2GAACASP1CASP4
SCHEMBL13131430 0.86 CASP1 (0.44) BRS3SMN1; SMN2GAACASP1CASP5
SCHEMBL2811863 0.86 MEN1 (0.44) MAPK1SMN1; SMN2GAACYP2C9
SCHEMBL14405858 0.85 HSD17B10 (0.43) GALR2MAPK1SMN1; SMN2GAAGALR1
SCHEMBL2814050 0.85 SIGMAR1 (0.50) MAPK1SMN1; SMN2GAACASP1CASP4
SCHEMBL2809635 0.85 SIGMAR1 (0.50) MAPK1SMN1; SMN2GAACASP1CASP4
SCHEMBL537755 0.84 KDM4E (0.39) BRS3SMN1; SMN2GAATYMSCYP3A4
SCHEMBL2811719 0.84 GAA (0.41) MAPK1SMN1; SMN2GAAHDAC1

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 BRS3 3282/4885GALR2 4756/4885CCNE2 381/4885

“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.