SCHEMBL2643979

SCHEMBL2643979

Oc1ccc(-c2cnccn2)nc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.42
KMT2A Q03164 1/20 0.42
MET P08581 1/20 0.38
PIM1 P11309 3/20 0.37
NISCH Q9Y2I1 1/20 0.36
RPS6KA3 P51812 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP19A1 P11511 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
METAP2 P50579 1/20 0.35
ADRA1A P35348 1/20 0.35
ADRA1B P35368 1/20 0.35
WNT3A P56704 1/20 0.34
P4HA1 P13674 2/20 0.33
HSP90AA1 P07900 1/20 0.33
CCR1 P32246 1/20 0.33
CCR5 P51681 1/20 0.33
CCR8 P51685 1/20 0.33
HDAC6 Q9UBN7 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
SCHEMBL30958843 0.82 CCR1 (0.46) RAB9AKMT2AP4HA1CCR1CCR5
SCHEMBL1070654 0.82 CCR1 (0.46) RAB9AKMT2AP4HA1CCR1CCR5
SCHEMBL5321481 0.77 NISCH (0.43) RAB9APIM1NISCHCYP2D6CYP19A1
SCHEMBL30516908 0.77 KDM4E (0.61) RAB9APIM1METAP2HSP90AA1CCR1
SCHEMBL29705476 0.77 KDM4E (0.61) RAB9APIM1METAP2HSP90AA1CCR1
SCHEMBL2645103 0.77 KDM4E (0.61) RAB9APIM1METAP2HSP90AA1CCR1
SCHEMBL2645237 0.77 CYP2D6 (0.51) RAB9AKMT2AMETPIM1RPS6KA3
SCHEMBL29454745 0.76 NISCH (0.50) RAB9APIM1NISCHCYP2D6CYP19A1
SCHEMBL78566 0.76 NISCH (0.50) RAB9APIM1NISCHCYP2D6CYP19A1
SCHEMBL29598957 0.76 NISCH (0.50) RAB9APIM1NISCHCYP2D6CYP19A1

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 6 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 claimed
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
CN-1926127-A Novel 2-heteroaryl substituted benzimidazole derivatives BANYU PHARMA CO LTD (JP) 2007-03-07 CN 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 RAB9A 4133/4885KMT2A 1946/4885MET 2061/4885

“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.