SCHEMBL2811169

SCHEMBL2811169

O=C(NCc1ccccc1)C1CN(Cc2ccccc2)c2nc(NC3CCC3)nc3c2C1NN3

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.38
USP2 O75604 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MC4R P32245 1/20 0.38
CACNA1G O43497 8/20 0.38
CACNA1H O95180 8/20 0.38
CACNA1I Q9P0X4 8/20 0.38
KDM4E B2RXH2 2/20 0.37
EPHX2 P34913 3/20 0.37
F2 P00734 1/20 0.37
RECQL P46063 1/20 0.36
NPSR1 Q6W5P4 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
SCHEMBL2811933 0.85 CACNA1G (0.41) HPGDALDH1A1MC4RCACNA1GCACNA1H
SCHEMBL2812136 0.85 POLB (0.41) MC4RCACNA1GCACNA1HCACNA1I
SCHEMBL538333 0.84 ENPP2 (0.38) CACNA1GCACNA1HCACNA1INPSR1
SCHEMBL2812037 0.83 KCNH2 (0.39) MC4RCACNA1GCACNA1HCACNA1I
SCHEMBL2815946 0.83 MC4R (0.44) MC4RCACNA1GCACNA1HCACNA1IKDM4E
SCHEMBL2812146 0.83 ALDH1A1 (0.40) HPGDUSP2ALDH1A1MC4RCACNA1G
SCHEMBL538581 0.82 CACNA1G (0.39) ALDH1A1MC4RCACNA1GCACNA1HCACNA1I
SCHEMBL2812072 0.82 MC4R (0.39) ALDH1A1MC4RCACNA1GCACNA1HCACNA1I
SCHEMBL538003 0.81 KDM1A (0.40) CACNA1GCACNA1HCACNA1INPSR1
SCHEMBL2814288 0.81 KMT2A (0.39) ALDH1A1CACNA1GCACNA1HCACNA1IEPHX2

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 2 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-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 HPGD 193/4885USP2 4725/4885ALDH1A1 924/4885

“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.