SCHEMBL2644947

SCHEMBL2644947

CN(C)C(=O)c1ccc(Sc2cc(N)c(N)c(Oc3ccccc3C#N)c2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.41
MAPT P10636 2/20 0.41
LPAR1 Q92633 1/20 0.39
LPAR5 Q9H1C0 1/20 0.39
AR P10275 1/20 0.39
EZH2 Q15910 7/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
MEN1 O00255 1/20 0.35
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35
KMT2A Q03164 1/20 0.35
MAPK14 Q16539 2/20 0.35
ALDH1A1 P00352 2/20 0.34
POLB P06746 1/20 0.33
GAA P10253 1/20 0.33
ATR Q13535 1/20 0.33
SYK P43405 1/20 0.33
CYP3A4 P08684 1/20 0.33

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
SCHEMBL2645460 0.87 MAPK14 (0.39) HPGDMAPTLPAR1LPAR5AR
SCHEMBL2646298 0.87 LMNA (0.38) HPGDMAPTLPAR1LPAR5AR
SCHEMBL2644936 0.81 LPAR1 (0.39) HPGDMAPTLPAR1LPAR5EZH2
SCHEMBL2645506 0.74 LPAR1 (0.49) HPGDMAPTLPAR1LPAR5EZH2
SCHEMBL2644512 0.74 LPAR1 (0.40) HPGDMAPTLPAR1LPAR5AR
SCHEMBL2644731 0.69 MAPK14 (0.39) MAPTLPAR1LPAR5EZH2NPC1
SCHEMBL28029151 0.67 HPGD (0.63) HPGDEZH2SMN1; SMN2MEN1KMT2A
SCHEMBL20591208 0.66 CYP3A4 (0.52) HPGDMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL4021525 0.65 HPGD (0.41) HPGDMAPTARSMN1; SMN2TSHR
SCHEMBL4023818 0.64 ERN1 (0.47) HPGDMAPTSMN1; SMN2ALDH1A1ATR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1702919-B1 NOVEL 2-HETEROARYL-SUBSTITUTED BENZIMIDAZOLE DERIVATIVE MSD KK (JP) 2012-05-30 EP disclosed
US-7728025-B2 2-heteroaryl-substituted benzimidazole derivative BANYU PHARMACEUTICAL CO., LTD. (JP) 2010-06-01 US disclosed
US-20080070928-A1 Novel 2-Heteroaryl-Substituted Benzimidazole Derivative MSD K.K. (JP) 2008-03-20 US disclosed
EP-1702919-A1 NOVEL 2-HETEROARYL-SUBSTITUTED BENZIMIDAZOLE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2006-09-20 EP 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-20080070928-A1 Novel 2-Heteroaryl-Substituted Benzimidazole Derivative GCK, GCKR, HK1 HPGD 3233/4885MAPT 3676/4885LPAR1 4613/4885

“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.