SCHEMBL538580

SCHEMBL538580

Cc1ccccc1CNC(=O)C1CN(Cc2ccccc2)c2nc(NCc3ccccc3)nc3[nH]nc1c23

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CACNA1G O43497 6/20 0.41
CACNA1H O95180 6/20 0.41
CACNA1I Q9P0X4 6/20 0.41
KDM4E B2RXH2 1/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
P2RX7 Q99572 3/20 0.39
MAPT P10636 1/20 0.39
EPHX2 P34913 3/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ALDH1A1 P00352 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
SCHEMBL2812129 0.89 P2RX7 (0.44) CACNA1GCACNA1HCACNA1IKMT2AP2RX7
SCHEMBL2814282 0.88 KMT2A (0.42) CACNA1GCACNA1HCACNA1IKMT2AMEN1
SCHEMBL2811925 0.88 CACNA1G (0.42) CACNA1GCACNA1HCACNA1IP2RX7ALDH1A1
SCHEMBL2815942 0.88 MC4R (0.43) CACNA1GCACNA1HCACNA1IKDM4EP2RX7
SCHEMBL538332 0.85 CACNA1G (0.39) CACNA1GCACNA1HCACNA1IKMT2ASMN1; SMN2
SCHEMBL2812033 0.85 P2RX7 (0.42) CACNA1GCACNA1HCACNA1IKMT2AMEN1
SCHEMBL538002 0.84 KDM1A (0.41) CACNA1GCACNA1HCACNA1I
SCHEMBL13131765 0.84 KMT2A (0.40) CACNA1GCACNA1HCACNA1IKMT2AEPHX2
SCHEMBL2812141 0.84 ALDH1A1 (0.43) CACNA1GCACNA1HCACNA1IKDM4EKMT2A
SCHEMBL537587 0.83 ALDH1A1 (0.48) KDM4EKMT2AMEN1MAPTSMN1; SMN2

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
EP-2414359-A1 PERI-FUSED PYRAZOLO-PYRIMIDINE COMPOUNDS ArQule, Inc. (US) 2012-02-08 EP claimed
WO-2010114905-A1 PERI-FUSED PYRAZOLO-PYRIMIDINE COMPOUNDS ARQULE, INC. (US) 2010-10-07 WO claimed
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.