SCHEMBL2812129

SCHEMBL2812129

O=C(NCc1ccccc1)C1CN(Cc2ccccc2)c2nc(NCc3ccccc3Cl)nc3[nH]nc1c23

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 3/20 0.44
POLB P06746 2/20 0.43
CACNA1G O43497 5/20 0.40
CACNA1H O95180 5/20 0.40
CACNA1I Q9P0X4 5/20 0.40
GAA P10253 1/20 0.38
TP53 P04637 3/20 0.38
LMNA P02545 2/20 0.38
KMT2A Q03164 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
SCHEMBL2811925 0.90 CACNA1G (0.42) P2RX7CACNA1GCACNA1HCACNA1ITP53
SCHEMBL538580 0.89 CACNA1G (0.41) P2RX7CACNA1GCACNA1HCACNA1IKMT2A
SCHEMBL2815942 0.87 MC4R (0.43) P2RX7POLBCACNA1GCACNA1HCACNA1I
SCHEMBL2812033 0.86 P2RX7 (0.42) P2RX7CACNA1GCACNA1HCACNA1IKMT2A
SCHEMBL2814282 0.85 KMT2A (0.42) P2RX7CACNA1GCACNA1HCACNA1IGAA
SCHEMBL2812141 0.85 ALDH1A1 (0.43) POLBCACNA1GCACNA1HCACNA1IGAA
SCHEMBL538332 0.84 CACNA1G (0.39) CACNA1GCACNA1HCACNA1IGAALMNA
SCHEMBL537587 0.84 ALDH1A1 (0.48) POLBTP53LMNAKMT2A
SCHEMBL2811162 0.83 USP2 (0.39) CACNA1GCACNA1HCACNA1I
SCHEMBL538002 0.83 KDM1A (0.41) CACNA1GCACNA1HCACNA1I

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 P2RX7 103/4885POLB 345/4885CACNA1G 4588/4885

“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.