SCHEMBL2068950

SCHEMBL2068950

COc1ccc(NC(=O)N[C@@H]2CCN(C)[C@@H](c3nc4ccc(F)cc4[nH]3)C2)cn1

nearest known ligand 0.63

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MLLT1 Q03111 3/20 0.44
HCRTR1 O43613 1/20 0.41
HCRTR2 O43614 1/20 0.41
DGAT1 O75907 1/20 0.40

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 SCHEMBL2067903 0.99 MLLT1 (0.43) MLLT1HCRTR1HCRTR2DGAT1
SCHEMBL2068362 0.91 LMNA (0.42) MLLT1HCRTR1HCRTR2
Hydrochloric Acid SCHEMBL2069386 0.91 LMNA (0.41) MLLT1HCRTR1HCRTR2
SCHEMBL2068163 0.90 LMNA (0.44) MLLT1HCRTR1HCRTR2
Hydrochloric Acid SCHEMBL2067258 0.90 LMNA (0.44) MLLT1HCRTR1HCRTR2
SCHEMBL2068584 0.90 SMN1; SMN2 (0.45)
SCHEMBL2066872 0.90 MLLT1 (0.45) MLLT1
Hydrochloric Acid SCHEMBL2069179 0.89 MLLT1 (0.45) MLLT1
Hydrochloric Acid SCHEMBL2069174 0.89 SMN1; SMN2 (0.45)
SCHEMBL2066460 0.88 EPHX2 (0.47) MLLT1

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 14 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-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 MLLT1 1364/4885HCRTR1 3914/4885HCRTR2 4470/4885
US-20120157495-A1 BENZIMIDAZOLE DERIVATIVES BOD1L1, H1-3, BRIX1 MLLT1 1364/4885HCRTR1 3914/4885HCRTR2 4470/4885

“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.