SCHEMBL5023713

SCHEMBL5023713

Cc1ccc(C(=O)Nc2ccc(C#N)cc2F)cc1Nc1nc(-c2ccncc2)cs1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 3/20 0.49
ALDH1A1 P00352 1/20 0.46
MAPT P10636 1/20 0.46
THRB P10828 1/20 0.46
ABL1 P00519 11/20 0.46
BCR P11274 11/20 0.46
PDGFRB P09619 2/20 0.45
HDAC3 O15379 1/20 0.45
KDR P35968 1/20 0.45
HDAC4 P56524 1/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC7 Q8WUI4 1/20 0.45
HDAC2 Q92769 1/20 0.45
HDAC10 Q969S8 1/20 0.45
HDAC11 Q96DB2 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
HDAC9 Q9UKV0 1/20 0.45
HDAC5 Q9UQL6 1/20 0.45
KIT P10721 2/20 0.44

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
SCHEMBL5027556 0.92 GAA (0.56) ALDH1A1MAPTABL1BCRPDGFRB
SCHEMBL5972050 0.88 ROCK1 (0.47) ROCK1ALDH1A1MAPTTHRBKDM4E
SCHEMBL5025029 0.88 GAA (0.54) ROCK1ALDH1A1MAPTTHRBABL1
SCHEMBL5025258 0.88 ROCK1 (0.64) ROCK1ALDH1A1MAPTTHRBABL1
SCHEMBL5025203 0.88 ABL1 (0.53) ALDH1A1MAPTTHRBABL1BCR
SCHEMBL5025070 0.85 ABL1 (0.53) ALDH1A1MAPTTHRBABL1BCR
SCHEMBL5029324 0.83 GAA (0.57) ROCK1ALDH1A1MAPTTHRBABL1
SCHEMBL5025047 0.82 ABL1 (0.56) ROCK1ALDH1A1MAPTTHRBABL1
Benzamide SCHEMBL5027662 0.82 ROCK1 (0.55) ROCK1ALDH1A1MAPTTHRBABL1
SCHEMBL5027557 0.81 ABL1 (0.54) ALDH1A1MAPTTHRBABL1BCR

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
US-20080039466-A1 2-(3-Substituted-Aryl) Amino-4-Aryl-Thiazoles As Tyrosine Kinase Inhibitors AB SCIENCE 2008-02-14 US claimed
EP-1711497-A1 2-(3-SUBSTITUTED-ARYL)AMINO-4-ARYL-THIAZOLES AS TYROSINE KINASE INHIBITORS AB Science (FR) 2006-10-18 EP claimed
WO-2005073225-A1 2-(3-SUBSTITUTED-ARYL)AMINO-4-ARYL-THIAZOLES AS TYROSINE KINASE INHIBITORS AB SCIENCE (FR) 2005-08-11 WO claimed
US-20080039466-A1 2-(3-Substituted-Aryl) Amino-4-Aryl-Thiazoles As Tyrosine Kinase Inhibitors AB SCIENCE 2008-02-14 US disclosed
US-20080039466-A1 2-(3-Substituted-Aryl) Amino-4-Aryl-Thiazoles As Tyrosine Kinase Inhibitors AB SCIENCE 2008-02-14 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-20080039466-A1 2-(3-Substituted-Aryl) Amino-4-Aryl-Thiazoles As Tyrosine Kinase Inhibitors KIT, MAP3K2, RET ROCK1 1432/4885ALDH1A1 1174/4885MAPT 2933/4885

“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.