SCHEMBL538581

SCHEMBL538581

Cc1ccccc1CNC(=O)C1CN(Cc2ccccc2)c2nc(NCc3ccccc3)nc3c2C1NN3

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CACNA1G O43497 8/20 0.39
CACNA1H O95180 8/20 0.39
CACNA1I Q9P0X4 8/20 0.39
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
P2RX7 Q99572 1/20 0.37
EPHX2 P34913 2/20 0.36
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
MC4R P32245 1/20 0.35
LMNA P02545 1/20 0.35
POLB P06746 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
SCHEMBL2811933 0.88 CACNA1G (0.41) CACNA1GCACNA1HCACNA1IALDH1A1P2RX7
SCHEMBL2812136 0.87 POLB (0.41) CACNA1GCACNA1HCACNA1IP2RX7MC4R
SCHEMBL2814288 0.87 KMT2A (0.39) CACNA1GCACNA1HCACNA1IALDH1A1MAPT
SCHEMBL2815946 0.87 MC4R (0.44) CACNA1GCACNA1HCACNA1IKDM4EMC4R
SCHEMBL2812037 0.86 KCNH2 (0.39) CACNA1GCACNA1HCACNA1IP2RX7KMT2A
SCHEMBL538333 0.85 ENPP2 (0.38) CACNA1GCACNA1HCACNA1I
SCHEMBL538003 0.84 KDM1A (0.40) CACNA1GCACNA1HCACNA1I
SCHEMBL2812146 0.84 ALDH1A1 (0.40) CACNA1GCACNA1HCACNA1IKDM4EALDH1A1
SCHEMBL537588 0.83 ALDH1A1 (0.45) KDM4EALDH1A1MAPTKMT2AMEN1
SCHEMBL2811169 0.82 HPGD (0.38) CACNA1GCACNA1HCACNA1IKDM4EALDH1A1

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 4 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-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.