SCHEMBL13316482

SCHEMBL13316482

COCCOc1ccc(Cl)nn1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.41
CHRNA4 P43681 1/20 0.41
ACACB O00763 1/20 0.36
PLAU P00749 1/20 0.36
HTR2C P28335 2/20 0.35
HTR2B P41595 1/20 0.35
ALDH1A1 P00352 2/20 0.35
GAA P10253 2/20 0.35
MAPT P10636 1/20 0.35
TSHR P16473 1/20 0.35
POLB P06746 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
LMNA P02545 2/20 0.35
PIK3CD O00329 1/20 0.34
PIK3CA P42336 1/20 0.34
PIK3CB P42338 1/20 0.34
PI4KA P42356 1/20 0.34
PIK3CG P48736 1/20 0.34
PI4KB Q9UBF8 1/20 0.34

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
SCHEMBL25317913 0.95 L3MBTL1 (0.39) CHRNB2CHRNA4ACACBPLAUHTR2C
SCHEMBL30508779 0.95 L3MBTL1 (0.39) CHRNB2CHRNA4ACACBPLAUHTR2C
SCHEMBL13316483 0.91 CHRNB2 (0.40) CHRNB2CHRNA4ACACBALDH1A1GAA
SCHEMBL6939611 0.82 CHRNB2 (0.42) CHRNB2CHRNA4ALDH1A1GAAMAPT
SCHEMBL6936975 0.81 NPC1 (0.48) CHRNB2CHRNA4ACACBPOLB
SCHEMBL3510010 0.79 CHRNB2 (0.40) CHRNB2CHRNA4ALDH1A1GAAMAPT
SCHEMBL6937171 0.79 SOAT1 (0.44) CHRNB2CHRNA4
SCHEMBL19624156 0.78 LMNA (0.41) ACACBALDH1A1GAATSHRLMNA
SCHEMBL3063761 0.78 CHRNB2 (0.42) CHRNB2CHRNA4HTR2CHTR2BALDH1A1
SCHEMBL6940093 0.78 CHRNB2 (0.42) CHRNB2CHRNA4ALDH1A1GAAMAPT

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-4466258-A1 NEW BENZIMIDAZOLE PYRIDINE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2024-11-27 EP disclosed
US-20240383875-A1 Benzimidazole Pyridine Derivatives HOFFMANN-LA ROCHE INC. (US) 2024-11-21 US disclosed
CN-118591534-A Novel benzimidazole pyridine derivatives 豪夫迈·罗氏有限公司 2024-09-03 CN disclosed
WO-2023139085-A1 NEW BENZIMIDAZOLE PYRIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2023-07-27 WO disclosed
WO-2023139085-A1 NEW BENZIMIDAZOLE PYRIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2023-07-27 WO disclosed
US-20100160311-A1 Fungicidal Azolopyrimidines, Process for Their Preparation and Their Use For Controlling Harmful Fungi, and Also Compositions Comprising Them BASF SE (DE) 2010-06-24 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-20100160311-A1 Fungicidal Azolopyrimidines, Process for Their Preparation and Their Use For Controlling Harmful Fungi, and Also Compositions Comprising Them G6PD, CYP51A1, ERG28 CHRNB2 4810/4885CHRNA4 4799/4885ACACB 3722/4885
US-20240383875-A1 Benzimidazole Pyridine Derivatives H1-3, H1-2, H1-4 CHRNB2 2660/4885CHRNA4 1294/4885ACACB 2330/4885

“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.