SCHEMBL2812072

SCHEMBL2812072

O=C(NCc1ccccc1)C1CN(Cc2ccccc2)c2nc(N3CCCCC3)nc3c2C1NN3

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MC4R P32245 1/20 0.39
CACNA1G O43497 8/20 0.39
CACNA1H O95180 8/20 0.39
CACNA1I Q9P0X4 8/20 0.39
EPHX2 P34913 1/20 0.38
AADAT Q8N5Z0 1/20 0.38
GAA P10253 2/20 0.37
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
PDE4A P27815 1/20 0.36
PDE4B Q07343 1/20 0.36
PDE4C Q08493 1/20 0.36
PDE4D Q08499 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
SCHEMBL2811661 0.92 MC4R (0.38) MC4RCACNA1GCACNA1HCACNA1IEPHX2
SCHEMBL2809465 0.92 HTR6 (0.40) MC4RCACNA1GCACNA1HCACNA1IEPHX2
SCHEMBL2811169 0.82 HPGD (0.38) MC4RCACNA1GCACNA1HCACNA1IEPHX2
SCHEMBL2811933 0.81 CACNA1G (0.41) MC4RCACNA1GCACNA1HCACNA1IALDH1A1
SCHEMBL2812136 0.80 POLB (0.41) MC4RCACNA1GCACNA1HCACNA1IGAA
SCHEMBL538333 0.80 ENPP2 (0.38) CACNA1GCACNA1HCACNA1I
SCHEMBL2812037 0.79 KCNH2 (0.39) MC4RCACNA1GCACNA1HCACNA1I
SCHEMBL2812146 0.78 ALDH1A1 (0.40) MC4RCACNA1GCACNA1HCACNA1IGAA
SCHEMBL2815946 0.78 MC4R (0.44) MC4RCACNA1GCACNA1HCACNA1IGAA
SCHEMBL538581 0.78 CACNA1G (0.39) MC4RCACNA1GCACNA1HCACNA1IEPHX2

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 MC4R 3042/4885CACNA1G 4588/4885CACNA1H 4714/4885

“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.