SCHEMBL2812136

SCHEMBL2812136

O=C(NCc1ccccc1)C1CN(Cc2ccccc2)c2nc(NCc3ccccc3Cl)nc3c2C1NN3

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.41
CACNA1G O43497 8/20 0.40
CACNA1H O95180 8/20 0.40
CACNA1I Q9P0X4 8/20 0.40
P2RX7 Q99572 2/20 0.40
MC4R P32245 1/20 0.38
TP53 P04637 3/20 0.37
GAA P10253 1/20 0.36
LMNA P02545 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
SCHEMBL2811933 0.91 CACNA1G (0.41) CACNA1GCACNA1HCACNA1IP2RX7MC4R
SCHEMBL538581 0.87 CACNA1G (0.39) POLBCACNA1GCACNA1HCACNA1IP2RX7
SCHEMBL2812037 0.87 KCNH2 (0.39) CACNA1GCACNA1HCACNA1IP2RX7MC4R
SCHEMBL2815946 0.86 MC4R (0.44) POLBCACNA1GCACNA1HCACNA1IMC4R
SCHEMBL2812146 0.86 ALDH1A1 (0.40) POLBCACNA1GCACNA1HCACNA1IMC4R
SCHEMBL2814288 0.85 KMT2A (0.39) CACNA1GCACNA1HCACNA1IGAALMNA
SCHEMBL2811169 0.85 HPGD (0.38) CACNA1GCACNA1HCACNA1IMC4R
SCHEMBL538003 0.85 KDM1A (0.40) CACNA1GCACNA1HCACNA1I
SCHEMBL538333 0.84 ENPP2 (0.38) CACNA1GCACNA1HCACNA1I
SCHEMBL537588 0.84 ALDH1A1 (0.45) TP53LMNA

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 POLB 345/4885CACNA1G 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.