Sugi Predict

Sugi Predict / Compounds / SCHEMBL4240870

SCHEMBL4240870

SCHEMBL4240870

N=C(N)NC(=O)c1cn(-c2ccnc3ccc(F)cc23)c2ccccc12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ROCK1 Q13464 2/20 0.37
▸ HDAC1 Q13547 1/20 0.36
▸ HDAC2 Q92769 1/20 0.36
▸ CDK8 P49336 2/20 0.35
▸ CCNC P24863 1/20 0.35
▸ HTR3A P46098 4/20 0.35
▸ IDO1 P14902 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ MALT1 Q9UDY8 2/20 0.33
▸ PREP P48147 1/20 0.33
▸ MET P08581 1/20 0.33
▸ KIT P10721 1/20 0.33
▸ FLT3 P36888 1/20 0.33
▸ JAK2 O60674 1/20 0.33
▸ JAK1 P23458 1/20 0.33
▸ CYP3A4 P08684 2/20 0.33
▸ CLK2 P49760 1/20 0.33
▸ ACVR1 Q04771 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
Trifluoroacetic Acid SCHEMBL4240979 0.95 L3MBTL1 (0.35) ROCK1HDAC1HDAC2CDK8CCNC
SCHEMBL4245169 0.92 MALT1 (0.37) ROCK1CDK8CCNCIDO1CYP2D6
Hydrochloric Acid SCHEMBL4240291 0.91 MALT1 (0.36) ROCK1CDK8CCNCIDO1CYP2D6
SCHEMBL4242997 0.90 MALT1 (0.37) ROCK1CYP2D6RAB9ASMN1; SMN2MALT1
Hydrochloric Acid SCHEMBL4236327 0.89 MALT1 (0.36) ROCK1CYP2D6RAB9ASMN1; SMN2MALT1
SCHEMBL4247704 0.89 HTR3A (0.38) ROCK1HTR3AMALT1F10
SCHEMBL4241610 0.88 ROCK1 (0.39) ROCK1HTR3AMALT1RORC
Hydrochloric Acid SCHEMBL4236769 0.88 HTR3A (0.38) ROCK1HTR3ARAB9ASMN1; SMN2MALT1
SCHEMBL4245425 0.88 TNFSF11 (0.39) CDK8CCNCMALT1CLK2CLK4
Hydrochloric Acid SCHEMBL4237204 0.87 TNFSF11 (0.39) CDK8CCNCMALT1CLK2CLK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040214820-A1 3-guanidinocarbonyl-1-heteroaryl-indole derivatives, preparation process, their use as medicaments, and pharmaceutical compositions comprising them AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-10-28 — — US claimed
US-7638521-B2 3-guanidinocarbonyl-1-heteroaryl-indole derivatives, preparation process, their use as medicaments, and pharmaceutical compositions comprising them SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2009-12-29 — — US disclosed
US-20040214820-A1 3-guanidinocarbonyl-1-heteroaryl-indole derivatives, preparation process, their use as medicaments, and pharmaceutical compositions comprising them AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-10-28 — — 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-20040214820-A1 3-guanidinocarbonyl-1-heteroaryl-indole derivatives, preparation process, their use as medicaments, and pharmaceutical compositions comprising them IDO1, IDO2, HTR3C ROCK1 966/4885HDAC1 1250/4885HDAC2 402/4885

“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.