SCHEMBL2815942

SCHEMBL2815942

O=C(NCCc1ccccc1)C1CN(Cc2ccccc2)c2nc(NCc3ccccc3)nc3[nH]nc1c23

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MC4R P32245 2/20 0.43
CACNA1G O43497 6/20 0.38
CACNA1H O95180 6/20 0.38
CACNA1I Q9P0X4 6/20 0.38
EPHX1 P07099 1/20 0.37
TP53 P04637 2/20 0.37
POLB P06746 2/20 0.37
RXFP1 Q9HBX9 1/20 0.37
P2RX7 Q99572 1/20 0.36
GAA P10253 1/20 0.36
KDM4E B2RXH2 1/20 0.36
NPC1 O15118 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
HPGD P15428 1/20 0.36
RAB9A P51151 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
SCHEMBL2811925 0.89 CACNA1G (0.42) CACNA1GCACNA1HCACNA1ITP53P2RX7
SCHEMBL13131765 0.89 KMT2A (0.40) MC4RCACNA1GCACNA1HCACNA1INPC1
SCHEMBL538580 0.88 CACNA1G (0.41) CACNA1GCACNA1HCACNA1IP2RX7KDM4E
SCHEMBL2814282 0.88 KMT2A (0.42) CACNA1GCACNA1HCACNA1IP2RX7GAA
SCHEMBL2812033 0.87 P2RX7 (0.42) CACNA1GCACNA1HCACNA1IP2RX7
SCHEMBL2812129 0.87 P2RX7 (0.44) CACNA1GCACNA1HCACNA1ITP53POLB
SCHEMBL538332 0.87 CACNA1G (0.39) CACNA1GCACNA1HCACNA1IEPHX1GAA
SCHEMBL2808450 0.86 MMP13 (0.41) CACNA1GCACNA1HCACNA1ITP53POLB
SCHEMBL538002 0.86 KDM1A (0.41) CACNA1GCACNA1HCACNA1I
SCHEMBL2812141 0.85 ALDH1A1 (0.43) CACNA1GCACNA1HCACNA1IPOLBGAA

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 7 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-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 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.