SCHEMBL2811656

SCHEMBL2811656

O=C(NCc1ccccc1)C1CN(Cc2ccccc2)c2nc(N3CCN(c4ccccc4)CC3)nc3[nH]nc1c23

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RET P07949 1/20 0.40
CACNA1G O43497 6/20 0.39
CACNA1H O95180 6/20 0.39
CACNA1I Q9P0X4 6/20 0.39
EPHX2 P34913 1/20 0.39
TP53 P04637 1/20 0.38
KDM4E B2RXH2 1/20 0.38
MAPT P10636 1/20 0.38
MAPK1 P28482 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MDM2 Q00987 1/20 0.38
GFER P55789 1/20 0.37
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
HTR2B P41595 1/20 0.37
TRPA1 O75762 1/20 0.37

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
SCHEMBL2809460 0.92 HTR6 (0.43) RETCACNA1GCACNA1HCACNA1IEPHX2
SCHEMBL2812069 0.92 BRS3 (0.41) RETCACNA1GCACNA1HCACNA1IEPHX2
SCHEMBL538550 0.81 CACNA1I (0.44) CACNA1GCACNA1HCACNA1IALDH1A1
SCHEMBL2811925 0.80 CACNA1G (0.42) CACNA1GCACNA1HCACNA1ITP53ALDH1A1
SCHEMBL2811162 0.79 USP2 (0.39) CACNA1GCACNA1HCACNA1IEPHX2KDM4E
SCHEMBL2815942 0.79 MC4R (0.43) CACNA1GCACNA1HCACNA1ITP53KDM4E
SCHEMBL2812129 0.78 P2RX7 (0.44) CACNA1GCACNA1HCACNA1ITP53
SCHEMBL2812033 0.78 P2RX7 (0.42) CACNA1GCACNA1HCACNA1I
SCHEMBL2814282 0.77 KMT2A (0.42) CACNA1GCACNA1HCACNA1IEPHX2MAPT
SCHEMBL538580 0.77 CACNA1G (0.41) CACNA1GCACNA1HCACNA1IEPHX2KDM4E

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 RET 778/4885CACNA1G 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.