SCHEMBL3773901

SCHEMBL3773901

CNCCNc1nc(C2C(=O)Nc3ccc(Br)cc32)c2cn(C)nc2n1

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.37
ALDH1A1 P00352 1/20 0.37
NQO2 P16083 1/20 0.36
TP53 P04637 4/20 0.32
MAPT P10636 2/20 0.32
POLB P06746 1/20 0.32
LMNA P02545 2/20 0.31
ADORA3 P0DMS8 1/20 0.30
ADORA2A P29274 1/20 0.30
ADORA1 P30542 1/20 0.30

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
Hydrochloric Acid SCHEMBL2077619 0.99 USP2 (0.36) USP2ALDH1A1NQO2TP53MAPT
SCHEMBL2076108 0.95 USP2 (0.36) USP2ALDH1A1NQO2TP53MAPT
SCHEMBL2076948 0.92 USP2 (0.37) USP2ALDH1A1NQO2TP53MAPT
SCHEMBL3769627 0.90 USP2 (0.35) USP2ALDH1A1NQO2TP53MAPT
SCHEMBL2078025 0.90 ALDH1A1 (0.36) USP2ALDH1A1NQO2TP53MAPT
Hydrochloric Acid SCHEMBL2076633 0.89 USP2 (0.35) USP2ALDH1A1NQO2TP53MAPT
SCHEMBL2077706 0.88 USP2 (0.35) USP2ALDH1A1NQO2
SCHEMBL2078979 0.87 ALDH1A1 (0.36) USP2ALDH1A1NQO2TP53MAPT
SCHEMBL3767222 0.87 NQO2 (0.35) USP2ALDH1A1NQO2
SCHEMBL2078348 0.86 USP2 (0.36) USP2ALDH1A1NQO2TP53MAPT

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2024360-B1 SUBSTITUTED PYRAZOLOPYRIMIDINES CEPHALON INC (US) 2013-04-03 EP claimed
US-7851468-B2 Substituted pyrazolo[3,4-d]pyrimidines CEPHALON, INC. (US) 2010-12-14 US claimed
US-8354414-B2 Substituted bicyclic pyrimidines CEPHALON, INC (US) 2013-01-15 US disclosed
EP-2351751-A1 Substituted pyrazolopyrimidines CEPHALON, INC. (US) 2011-08-03 EP disclosed
US-20110053920-A1 SUBSTITUTED BICYCLIC PYRIMIDINES CEPHALON, INC. (US) 2011-03-03 US disclosed
US-7851468-B2 Substituted pyrazolo[3,4-d]pyrimidines CEPHALON, INC. (US) 2010-12-14 US disclosed
US-7851468-B2 Substituted pyrazolo[3,4-d]pyrimidines CEPHALON, INC. (US) 2010-12-14 US disclosed
WO-2008063232-A2 SUBSTITUTED PYRAZOLOPYRIMIDINES CEPHALON, INC. (US) 2008-05-29 WO disclosed
US-20070281949-A1 Substituted pyrazolopyrimidines CEPHALON, INC. (US) 2007-12-06 US disclosed
US-20070281949-A1 Substituted pyrazolopyrimidines CEPHALON, INC. (US) 2007-12-06 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 (2 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-20110053920-A1 SUBSTITUTED BICYCLIC PYRIMIDINES DPYD, P2RX5, P2RX7 USP2 4580/4885ALDH1A1 1266/4885NQO2 266/4885
US-20070281949-A1 Substituted pyrazolopyrimidines DPYD, P2RX5, P2RX6 USP2 4560/4885ALDH1A1 813/4885NQO2 277/4885

“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.