SCHEMBL2815946

SCHEMBL2815946

O=C(NCCc1ccccc1)C1CN(Cc2ccccc2)c2nc(NCc3ccccc3)nc3c2C1NN3

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MC4R P32245 8/20 0.44
TAAR1 Q96RJ0 4/20 0.39
POLB P06746 2/20 0.39
GAA P10253 2/20 0.39
TP53 P04637 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
CACNA1G O43497 3/20 0.35
CACNA1H O95180 3/20 0.35
CACNA1I Q9P0X4 3/20 0.35
KDM4E B2RXH2 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 0.89 CACNA1G (0.41) MC4RTP53CACNA1GCACNA1HCACNA1I
SCHEMBL2814288 0.88 KMT2A (0.39) GAACACNA1GCACNA1HCACNA1I
SCHEMBL538581 0.87 CACNA1G (0.39) MC4RPOLBCACNA1GCACNA1HCACNA1I
SCHEMBL538333 0.87 ENPP2 (0.38) CACNA1GCACNA1HCACNA1I
SCHEMBL2812037 0.86 KCNH2 (0.39) MC4RCACNA1GCACNA1HCACNA1I
SCHEMBL2812136 0.86 POLB (0.41) MC4RPOLBGAATP53CACNA1G
SCHEMBL2808454 0.84 PKM (0.39) POLBGAACACNA1GCACNA1HCACNA1I
SCHEMBL538003 0.84 KDM1A (0.40) CACNA1GCACNA1HCACNA1I
SCHEMBL537813 0.84 MC4R (0.52) MC4R
SCHEMBL537588 0.84 ALDH1A1 (0.45) TP53KDM4E

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 3042/4885TAAR1 4607/4885POLB 345/4885

“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.