SCHEMBL2077029

SCHEMBL2077029

CCCn1cc2c(C3C(=O)Nc4ccc(Br)cc43)nc(NC[C@@H](C)N)nc2n1

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.35
ALDH1A1 P00352 1/20 0.35
TP53 P04637 4/20 0.32
MAPT P10636 3/20 0.32
LMNA P02545 3/20 0.32
NQO2 P16083 1/20 0.32
POLB P06746 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
SCHEMBL2077027 1.00 USP2 (0.35) USP2ALDH1A1TP53MAPTLMNA
SCHEMBL2077775 0.93 USP2 (0.34) USP2ALDH1A1TP53MAPTLMNA
SCHEMBL2077783 0.93 USP2 (0.34) USP2ALDH1A1TP53MAPTLMNA
SCHEMBL2077833 0.93 USP2 (0.34) USP2ALDH1A1TP53MAPTLMNA
SCHEMBL2077978 0.90 USP2 (0.33) USP2ALDH1A1TP53MAPTLMNA
SCHEMBL2077977 0.90 USP2 (0.33) USP2ALDH1A1TP53MAPTLMNA
SCHEMBL2079263 0.90 USP2 (0.33) USP2ALDH1A1TP53MAPTLMNA
SCHEMBL2075420 0.88 USP2 (0.35) USP2ALDH1A1TP53MAPTLMNA
SCHEMBL3769627 0.88 USP2 (0.35) USP2ALDH1A1TP53MAPTLMNA
SCHEMBL12428993 0.87 USP2 (0.37) USP2ALDH1A1TP53MAPTLMNA

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 9 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-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
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
US-7851468-B2 Substituted pyrazolo[3,4-d]pyrimidines CEPHALON, INC. (US) 2010-12-14 US 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 1266/4885TP53 2119/4885
US-20070281949-A1 Substituted pyrazolopyrimidines DPYD, P2RX5, P2RX6 USP2 4560/4885ALDH1A1 813/4885TP53 2194/4885

“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.