SCHEMBL16809167

SCHEMBL16809167

Cc1nc2cc(Br)c(C)c(C)c2[nH]1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK2A1 P68400 1/20 0.39
GRIN2D O15399 1/20 0.36
GRIN3B O60391 1/20 0.36
GRIN1 Q05586 1/20 0.36
GRIN2A Q12879 1/20 0.36
GRIN2B Q13224 1/20 0.36
GRIN2C Q14957 1/20 0.36
GRIN3A Q8TCU5 1/20 0.36
ADORA3 P0DMS8 2/20 0.35
ALDH1A1 P00352 2/20 0.35
TYMS P04818 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
MAPT P10636 4/20 0.33
KDM4E B2RXH2 3/20 0.33
HPGD P15428 2/20 0.33
GAA P10253 2/20 0.33
POLB P06746 1/20 0.33
NPC1 O15118 1/20 0.33
USP2 O75604 1/20 0.33
GLA P06280 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
SCHEMBL1192890 0.81 GRIN2D (0.31) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL5683274 0.81 FABP6 (0.43) CSNK2A1ALDH1A1TYMSHPGDLMNA
SCHEMBL16809188 0.77 CSNK2A1 (0.37) CSNK2A1ADORA3ALDH1A1TYMSSMN1; SMN2
SCHEMBL20476867 0.77 CSNK2A1 (0.37) CSNK2A1ADORA3ALDH1A1TYMSSMN1; SMN2
SCHEMBL22011133 0.76 CSNK2A1 (0.39) CSNK2A1ADORA3ALDH1A1TYMSSMN1; SMN2
SCHEMBL17702657 0.76 CSNK2A1 (0.39) CSNK2A1ADORA3ALDH1A1TYMSSMN1; SMN2
SCHEMBL6517964 0.75 CYP1A2 (0.46) ALDH1A1HPGDUSP2
SCHEMBL16801763 0.72 NQO2 (0.42) CSNK2A1ADORA3ALDH1A1TYMSSMN1; SMN2
SCHEMBL21263175 0.72 TYMS (0.38) CSNK2A1ADORA3ALDH1A1TYMSSMN1; SMN2
SCHEMBL30065191 0.71 MAPT (0.50) ALDH1A1TYMSSMN1; SMN2MAPTKDM4E

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
US-20170305897-A1 BENZIMIDAZOLE-PROLINE DERIVATIVES IDORSIA PHARMACEUTICALS LTD (CH) 2017-10-26 US disclosed
US-9732075-B2 Benzimidazole-proline derivatives IDORSIA PHARMACEUTICALS LTD (CH) 2017-08-15 US disclosed
EP-2855453-B1 BENZIMIDAZOLE-PROLINE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2016-12-07 EP disclosed
US-20150166527-A1 BENZIMIDAZOLE-PROLINE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2015-06-18 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-20150166527-A1 BENZIMIDAZOLE-PROLINE DERIVATIVES HCRTR1, HCRTR2, NPY1R CSNK2A1 991/4885GRIN2D 536/4885GRIN3B 305/4885
US-20170305897-A1 BENZIMIDAZOLE-PROLINE DERIVATIVES HCRTR1, HCRTR2, NPY1R CSNK2A1 833/4885GRIN2D 455/4885GRIN3B 297/4885

“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.