SCHEMBL12282452

SCHEMBL12282452

C=C(NC)c1cc(Cl)ccn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 1/20 0.46
ALDH1A1 P00352 2/20 0.46
MAPT P10636 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
NPC1 O15118 4/20 0.40
RAB9A P51151 4/20 0.40
CASP3 P42574 1/20 0.38
SENP8 Q96LD8 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
SENP6 Q9GZR1 1/20 0.38
GRM5 P41594 2/20 0.36
GRM4 Q14833 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
CYP1A2 P05177 1/20 0.34
LMNA P02545 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
CNR2 P34972 1/20 0.33
KDM4E B2RXH2 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
SCHEMBL18809093 0.79 UHRF1 (0.43) ALDH1A1MAPTL3MBTL1NPC1RAB9A
SCHEMBL5700329 0.79 MAPT (0.50) KDM4CALDH1A1MAPTL3MBTL1NPC1
SCHEMBL21413335 0.78 KDM4C (0.46) KDM4CALDH1A1MAPTL3MBTL1NPC1
SCHEMBL30155195 0.78 KDM4C (0.62) KDM4CALDH1A1MAPTL3MBTL1NPC1
SCHEMBL177518 0.78 KDM4C (0.62) KDM4CALDH1A1MAPTL3MBTL1NPC1
SCHEMBL6890022 0.77 ALDH1A1 (0.46) KDM4CALDH1A1MAPTL3MBTL1NPC1
Hydrochloric Acid SCHEMBL700397 0.76 KDM4C (0.60) KDM4CALDH1A1MAPTL3MBTL1NPC1
SCHEMBL26528884 0.75 CBLB (0.34) KDM4CALDH1A1NPC1RAB9AHTT
SCHEMBL29102906 0.74 MAPT (0.53) KDM4CALDH1A1MAPTL3MBTL1NPC1
SCHEMBL25898606 0.74 NOS3 (0.44) ALDH1A1L3MBTL1LMNAPYGLPYGM

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
WO-2017214413-A1 IMIDAZO[1,2-A]PYRIDINE DERIVATIVES AS HISTONE DEMETHYLASE INHIBITORS Chrysalis, Inc. (US) 2017-12-14 WO disclosed
WO-2011128261-A1 PROCESS FOR THE PREPARATION OF 4- {4-[({[4 -CHLORO-3 -(TRIFLUOROMETHYL)-PHENYL]AMINO}CARBONYL)AMINO]-3-FLUOROPHENOXY}-N-METHYLPYRIDINE-2-CARBOXAMIDE, ITS SALTS AND MONOHYDRATE BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2011-10-20 WO disclosed
US-20100196368-A1 SUBSTITUTED BENZ-AZOLES AND METHODS OF THEIR USE AS INHIBITORS OF RAF KINASE NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2010-08-05 US disclosed
WO-2009034308-A2 PROCESS FOR THE PREPARATION OF A RAF KINASE INHIBITOR AND INTERMEDIATES FOR USE IN THE PROCESS CIPLA LIMITED (IN) 2009-03-19 WO 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-20100196368-A1 SUBSTITUTED BENZ-AZOLES AND METHODS OF THEIR USE AS INHIBITORS OF RAF KINASE BRAF, RAF1, ARAF KDM4C 1437/4885ALDH1A1 1008/4885MAPT 3981/4885

“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.