SCHEMBL2811162

SCHEMBL2811162

O=C(NCc1ccccc1)C1CN(Cc2ccccc2)c2nc(NC3CCC3)nc3[nH]nc1c23

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
CACNA1G O43497 9/20 0.39
CACNA1H O95180 9/20 0.39
CACNA1I Q9P0X4 9/20 0.39
EPHX2 P34913 2/20 0.39
KDM4E B2RXH2 2/20 0.38
RECQL P46063 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
APP P05067 1/20 0.37
BCHE P06276 1/20 0.37
ACHE P22303 1/20 0.37
CTNNB1 P35222 1/20 0.36
TCF7L2 Q9NQB0 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 0.86 CACNA1G (0.42) ALDH1A1HPGDCACNA1GCACNA1HCACNA1I
SCHEMBL538332 0.85 CACNA1G (0.39) HPGDCACNA1GCACNA1HCACNA1INPSR1
SCHEMBL2815942 0.84 MC4R (0.43) ALDH1A1HPGDCACNA1GCACNA1HCACNA1I
SCHEMBL2812033 0.83 P2RX7 (0.42) CACNA1GCACNA1HCACNA1I
SCHEMBL2812129 0.83 P2RX7 (0.44) CACNA1GCACNA1HCACNA1I
SCHEMBL538580 0.82 CACNA1G (0.41) ALDH1A1CACNA1GCACNA1HCACNA1IEPHX2
SCHEMBL2814282 0.82 KMT2A (0.42) ALDH1A1CACNA1GCACNA1HCACNA1IEPHX2
SCHEMBL2812141 0.82 ALDH1A1 (0.43) USP2ALDH1A1CACNA1GCACNA1HCACNA1I
SCHEMBL2812069 0.81 BRS3 (0.41) ALDH1A1CACNA1GCACNA1HCACNA1IEPHX2
SCHEMBL538550 0.81 CACNA1I (0.44) ALDH1A1CACNA1GCACNA1HCACNA1I

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 6 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
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 USP2 4725/4885ALDH1A1 924/4885HPGD 193/4885

“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.