SCHEMBL2069263

SCHEMBL2069263

Cc1cc2nc([C@H]3C[C@H](NC(=O)Nc4ccc(C(F)(F)F)nc4)CCN3C)[nH]c2cc1C

nearest known ligand 0.64

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.48
CCNC P24863 1/20 0.42
CDK8 P49336 1/20 0.42
MLLT1 Q03111 3/20 0.42
CNR1 P21554 1/20 0.39
LMNA P02545 1/20 0.39
TP53 P04637 1/20 0.39
MAPT P10636 1/20 0.39
HTT P42858 1/20 0.39
FPR1 P21462 1/20 0.39
FPR2 P25090 1/20 0.39
HPSE Q9Y251 1/20 0.39

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 SCHEMBL2067873 0.99 EPHX2 (0.47) EPHX2CCNCCDK8MLLT1CNR1
SCHEMBL2068354 0.92 EPHX2 (0.47) EPHX2CCNCCDK8MLLT1CNR1
Hydrochloric Acid SCHEMBL2067890 0.91 EPHX2 (0.46) EPHX2CCNCCDK8MLLT1CNR1
SCHEMBL2066460 0.91 EPHX2 (0.47) EPHX2CCNCCDK8MLLT1
Hydrochloric Acid SCHEMBL2069269 0.90 EPHX2 (0.47) EPHX2CCNCCDK8MLLT1
SCHEMBL2068118 0.90 EPHX2 (0.49) EPHX2CCNCCDK8
SCHEMBL2067528 0.90 LMNA (0.41) MLLT1LMNATP53MAPTHTT
Hydrochloric Acid SCHEMBL2067774 0.90 EPHX2 (0.48) EPHX2CCNCCDK8
SCHEMBL2067831 0.90 EPHX2 (0.46) EPHX2CCNCCDK8MLLT1CNR1
SCHEMBL18536590 0.89 EPHX2 (0.49) EPHX2CCNCCDK8MLLT1CNR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2170860-B9 BENZIMIDAZOLE DERIVATIVES PFIZER (US) 2017-02-22 EP disclosed
EP-2170860-B1 BENZIMIDAZOLE DERIVATIVES PFIZER (US) 2016-11-02 EP disclosed
US-8431597-B2 Benzimidazole derivatives PFIZER INC. (US) 2013-04-30 US disclosed
US-8431597-B2 Benzimidazole derivatives PFIZER INC. (US) 2013-04-30 US disclosed
US-8431597-B2 Benzimidazole derivatives PFIZER INC. (US) 2013-04-30 US disclosed
US-20120157495-A1 BENZIMIDAZOLE DERIVATIVES PFIZER INC. 2012-06-21 US disclosed
US-20120157495-A1 BENZIMIDAZOLE DERIVATIVES PFIZER INC. 2012-06-21 US disclosed
US-20120157495-A1 BENZIMIDAZOLE DERIVATIVES PFIZER INC. 2012-06-21 US disclosed
US-8148401-B2 Benzimidazole derivatives PFIZER INC. (US) 2012-04-03 US disclosed
US-8148401-B2 Benzimidazole derivatives PFIZER INC. (US) 2012-04-03 US disclosed
US-8148401-B2 Benzimidazole derivatives PFIZER INC. (US) 2012-04-03 US disclosed
EP-2170860-A2 BENZIMIDAZOLE DERIVATIVES Pfizer Inc. (US) 2010-04-07 EP disclosed
WO-2009004427-A2 BENZIMIDAZOLE DERIVATIVES PFIZER INC. (US) 2009-01-08 WO disclosed
US-20090005416-A1 BENZIMIDAZOLE DERIVATIVES PFIZER INC. 2009-01-01 US disclosed
US-20090005416-A1 BENZIMIDAZOLE DERIVATIVES PFIZER INC. 2009-01-01 US disclosed
US-20090005416-A1 BENZIMIDAZOLE DERIVATIVES PFIZER INC. 2009-01-01 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-20090005416-A1 BENZIMIDAZOLE DERIVATIVES BOD1L1, H1-3, BRIX1 EPHX2 4587/4885CCNC 162/4885CDK8 1590/4885
US-20120157495-A1 BENZIMIDAZOLE DERIVATIVES BOD1L1, H1-3, BRIX1 EPHX2 4587/4885CCNC 162/4885CDK8 1590/4885

“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.