Sugi Predict

Sugi Predict / Compounds / SCHEMBL784049

SCHEMBL784049

SCHEMBL784049

CN(C(=O)c1ccc2c(c1)[C@H](NC(=O)c1cccc(F)c1Cl)CC2)C1CCN(c2ccncn2)CC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ WDR5 P61964 5/20 0.37
▸ TAF1 P21675 2/20 0.37
▸ CECR2 Q9BXF3 2/20 0.37
▸ BRD9 Q9H8M2 2/20 0.37
▸ CCNC P24863 1/20 0.36
▸ CDK8 P49336 1/20 0.36
▸ TAS1R3 Q7RTX0 3/20 0.35
▸ TAS1R1 Q7RTX1 3/20 0.35
▸ TAS1R2 Q8TE23 2/20 0.35
▸ PDE4B Q07343 2/20 0.34
▸ F10 P00742 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ DPP4 P27487 1/20 0.33
▸ KCNH2 Q12809 1/20 0.33
▸ DPP8 Q6V1X1 1/20 0.33
▸ DPP9 Q86TI2 1/20 0.33
▸ PDE2A O00408 1/20 0.33
▸ PDE10A Q9Y233 1/20 0.33
▸ ROCK2 O75116 1/20 0.33
▸ POLB P06746 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
SCHEMBL785289 0.90 ALDH1A1 (0.41) WDR5TAF1CECR2BRD9CCNC
SCHEMBL785520 0.86 WDR5 (0.39) WDR5TAF1CECR2BRD9TAS1R3
SCHEMBL785705 0.82 TAS1R3 (0.41) WDR5TAS1R3TAS1R1TAS1R2F10
SCHEMBL785322 0.82 WDR5 (0.42) WDR5TAS1R3TAS1R1TAS1R2PDE4B
SCHEMBL784826 0.81 MEN1 (0.44) TAS1R3TAS1R1TAS1R2PDE2A
SCHEMBL784218 0.81 SLC6A9 (0.40) WDR5TAS1R3TAS1R1TAS1R2F10
SCHEMBL785040 0.81 PAK1 (0.40) WDR5TAS1R3TAS1R1TAS1R2KCNH2
SCHEMBL785562 0.80 ALDH1A1 (0.40) WDR5TAS1R3TAS1R1TAS1R2PDE2A
SCHEMBL784907 0.80 WDR5 (0.43) WDR5TAS1R3TAS1R1TAS1R2
SCHEMBL785049 0.79 ALDH1A1 (0.41) WDR5TAS1R3TAS1R1TAS1R2KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8680159-B2 Bradykinin 1 receptor modulating compounds GRUENENTHAL GMBH (DE) 2014-03-25 — — US claimed
US-20120071461-A1 Substituted Benzamide Compounds GRUENENTHAL GMBH (DE) 2012-03-22 — — US claimed
US-8680159-B2 Bradykinin 1 receptor modulating compounds GRUENENTHAL GMBH (DE) 2014-03-25 — — US disclosed
US-8680159-B2 Bradykinin 1 receptor modulating compounds GRUENENTHAL GMBH (DE) 2014-03-25 — — US disclosed
US-8680159-B2 Bradykinin 1 receptor modulating compounds GRUENENTHAL GMBH (DE) 2014-03-25 — — US disclosed
US-20120071461-A1 Substituted Benzamide Compounds GRUENENTHAL GMBH (DE) 2012-03-22 — — US disclosed
US-20120071461-A1 Substituted Benzamide Compounds GRUENENTHAL GMBH (DE) 2012-03-22 — — 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-20120071461-A1 Substituted Benzamide Compounds BDKRB1, BDKRB2, HRH2 WDR5 2611/4885TAF1 2144/4885CECR2 888/4885

“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.