SCHEMBL12844985

SCHEMBL12844985

O=C1Nc2ccc(Br)cc2C1c1nc(Cl)nc2nn(CCO)cc12

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.36
ALDH1A1 P00352 1/20 0.36
NQO2 P16083 1/20 0.33
TP53 P04637 2/20 0.32
MAPT P10636 2/20 0.32
POLB P06746 1/20 0.32
ADORA2A P29274 1/20 0.30
ADORA1 P30542 1/20 0.30
LMNA P02545 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
SCHEMBL2078526 0.91 USP2 (0.38) USP2ALDH1A1NQO2TP53MAPT
SCHEMBL2300117 0.88 USP2 (0.37) USP2ALDH1A1NQO2TP53MAPT
SCHEMBL2077846 0.87 USP2 (0.36) USP2ALDH1A1NQO2TP53MAPT
SCHEMBL2076816 0.86 USP2 (0.36) USP2ALDH1A1NQO2TP53MAPT
SCHEMBL2078617 0.85 USP2 (0.39) USP2ALDH1A1NQO2TP53MAPT
SCHEMBL2077496 0.80 ADORA2A (0.33) ADORA2AADORA1
SCHEMBL12427582 0.79 ADORA2A (0.31) ADORA2AADORA1
SCHEMBL2076197 0.79 USP2 (0.33) USP2ALDH1A1NQO2TP53MAPT
SCHEMBL13007299 0.78 USP2 (0.37) USP2ALDH1A1NQO2TP53MAPT
SCHEMBL12428993 0.77 USP2 (0.37) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8354414-B2 Substituted bicyclic pyrimidines CEPHALON, INC (US) 2013-01-15 US disclosed
US-20110053920-A1 SUBSTITUTED BICYCLIC PYRIMIDINES CEPHALON, INC. (US) 2011-03-03 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-20110053920-A1 SUBSTITUTED BICYCLIC PYRIMIDINES DPYD, P2RX5, P2RX7 USP2 4580/4885ALDH1A1 1266/4885NQO2 266/4885

“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.