SCHEMBL2644692

SCHEMBL2644692

Cc1nc(-c2ccc(O)cc2)nn1C

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 4/20 0.55
HSD17B2 P37059 1/20 0.47
NPC1 O15118 4/20 0.47
RAB9A P51151 4/20 0.47
NR1H2 P55055 2/20 0.47
NR1H3 Q13133 2/20 0.47
KMT2A Q03164 6/20 0.45
MEN1 O00255 5/20 0.45
MAPT P10636 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
USP2 O75604 2/20 0.45
TP53 P04637 1/20 0.45
PKM P14618 1/20 0.45
NFKB1 P19838 1/20 0.45
NFKB2 Q00653 1/20 0.45
RELA Q04206 1/20 0.45
ALDH1A1 P00352 2/20 0.42
TDP2 O95551 3/20 0.40
SIRT1 Q96EB6 1/20 0.40
NTSR1 P30989 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
SCHEMBL11996732 0.84 TDP2 (0.53) KDM4CHSD17B2NPC1RAB9ANR1H2
SCHEMBL17953961 0.81 KDM4C (0.55) KDM4CNPC1RAB9ANR1H2NR1H3
SCHEMBL2273828 0.81 AHR (0.49) KDM4CNPC1RAB9ANR1H2NR1H3
SCHEMBL16745628 0.80 NR1H2 (0.43) KDM4CHSD17B2NPC1RAB9ANR1H2
SCHEMBL16202035 0.80 NR1H3 (0.71) KDM4CHSD17B2NPC1RAB9ANR1H2
SCHEMBL12427206 0.78 KDM4C (0.57) KDM4CNPC1RAB9ANR1H2NR1H3
SCHEMBL11994459 0.78 NR1H2 (0.45) KDM4CNPC1RAB9ANR1H2NR1H3
SCHEMBL23343832 0.75 AOC3 (0.53) KDM4CHSD17B2NPC1RAB9ANR1H2
SCHEMBL10917559 0.75 KDM4C (0.47) KDM4CHSD17B2NPC1RAB9ANR1H2
SCHEMBL21914805 0.74 AOC3 (0.53) KDM4CHSD17B2NPC1RAB9ANR1H2

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 5 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
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 KDM4C 2705/4885HSD17B2 1498/4885NPC1 748/4885

“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.