SCHEMBL6314967

SCHEMBL6314967

Clc1ccccc1NCc1nnn[nH]1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 1/20 0.50
GRK2 P25098 1/20 0.50
ADRA2B P18089 1/20 0.47
ADRA2C P18825 1/20 0.47
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
EPHB3 P54753 1/20 0.40
KDM4E B2RXH2 3/20 0.38
MAPT P10636 5/20 0.37
IDO1 P14902 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
MAPK1 P28482 1/20 0.37
LMNA P02545 3/20 0.36
TSHR P16473 2/20 0.36
HPGD P15428 1/20 0.36
GAA P10253 3/20 0.35
ALDH1A1 P00352 1/20 0.35
PKM P14618 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
RAD52 P43351 1/20 0.35

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
SCHEMBL6320333 0.81 ADRA2C (0.49) ADRA2BADRA2CKMT2AMEN1KDM4E
SCHEMBL6314725 0.81 L3MBTL1 (0.42) KMT2AKDM4EMAPTL3MBTL1LMNA
SCHEMBL6321606 0.77 ROCK2 (0.53) ROCK2GRK2KMT2AMEN1KDM4E
SCHEMBL19283174 0.76 TAAR1 (0.50) ROCK2GRK2KMT2AMEN1MAPT
SCHEMBL3171290 0.71 TAAR1 (0.61) ROCK2GRK2ADRA2BADRA2CKMT2A
SCHEMBL6312343 0.71
SCHEMBL7684407 0.69 TAAR1 (0.50) KMT2AMEN1KDM4ELMNACYP1A2
SCHEMBL11509957 0.69 MEN1 (0.50) ROCK2GRK2ADRA2BADRA2CKMT2A
SCHEMBL2316630 0.67 HSD17B10 (0.59) ROCK2GRK2ADRA2BADRA2CKMT2A
SCHEMBL11512000 0.67 MAPT (0.62) ADRA2BADRA2CKMT2AMEN1EPHB3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050014810-A1 Use of substituted 2 phenylbenzimidazoles as medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-01-20 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 (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-20050014810-A1 Use of substituted 2 phenylbenzimidazoles as medicaments GLP1R, GIPR, GCGR ROCK2 2734/4885GRK2 205/4885ADRA2B 86/4885

“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.