Sugi Predict

Sugi Predict / Compounds / SCHEMBL143698

SCHEMBL143698

SCHEMBL143698

CS(=O)(=O)N1CCN(Cc2cccc3[nH]c(-c4cc5ccccc5[nH]c4=O)c(F)c23)CC1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ NPSR1 Q6W5P4 2/20 0.43
▸ KDR P35968 6/20 0.40
▸ KDM4E B2RXH2 5/20 0.39
▸ CDK5 Q00535 1/20 0.39
▸ CDK5R1 Q15078 1/20 0.39
▸ ALOX15 P16050 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ PTGER3 P43115 1/20 0.37
▸ HSD17B10 Q99714 2/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ TSHR P16473 2/20 0.37
▸ CHEK1 O14757 2/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ HRH4 Q9H3N8 1/20 0.36
▸ GAA P10253 2/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ GPR84 Q9NQS5 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.35
▸ AKT1 P31749 1/20 0.35

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
SCHEMBL7116590 0.83 CHEK1 (0.46) KDRKDM4ECDK5CDK5R1HSD17B10
SCHEMBL143989 0.83 ALK (0.45) NPSR1KDRKDM4ECDK5CDK5R1
SCHEMBL144063 0.81 KDR (0.37) KDRKDM4ETSHRCHEK1ALDH1A1
SCHEMBL149448 0.80 KDR (0.51) NPSR1KDRKDM4ECDK5CDK5R1
SCHEMBL7116386 0.76 NPSR1 (0.42) NPSR1KDM4EALOX15HTTTSHR
SCHEMBL7116381 0.75 NPSR1 (0.42) NPSR1KDM4EALOX15HTTTSHR
SCHEMBL142580 0.73 CHEK1 (0.59) KDRCHEK1
SCHEMBL172902 0.73 CHEK1 (0.67) KDRCHEK1
Hydrochloric Acid SCHEMBL5677881 0.72 CHEK1 (0.66) KDRCHEK1
SCHEMBL5079425 0.70 CHEK1 (0.62) KDRCHEK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6927293-B2 Tyrosine kinase inhibitors MERCK & CO., INC. (US) 2005-08-09 — — US claimed
US-20040192725-A1 Tyrosine kinase inhibitors MERCK & CO., INC. 2004-09-30 — — US claimed
US-20140221455-A1 DIFFERENTIATION MODULATING AGENTS AND USES THEREFOR Verva Pharmaceuticals, Inc. (AU) 2014-08-07 — — US disclosed
US-20120059047-A1 DIFFERENTIATION MODULATING AGENTS AND USES THEREFOR VERVA PHARMACEUTICALS PTY LTD (AU) 2012-03-08 — — US disclosed
US-20050282733-A1 Differentiation modulating agents and uses therefor VERVA PHARMACEUTICALS PTY LTD (AU) 2005-12-22 — — US disclosed
US-6927293-B2 Tyrosine kinase inhibitors MERCK & CO., INC. (US) 2005-08-09 — — US disclosed
WO-2005065686-A1 DIFFERENTIATION MODULATING AGENTS AND USES THEREFOR ADIPOGEN PHARMACEUTICALS PTY LIMITED (AU) 2005-07-21 — — WO disclosed
US-20040192725-A1 Tyrosine kinase inhibitors MERCK & CO., INC. 2004-09-30 — — 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 (3 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-20040192725-A1 Tyrosine kinase inhibitors ERBB2, TYRO3, TIE1 NPSR1 4046/4885KDR 5/4885KDM4E 2200/4885
US-20120059047-A1 DIFFERENTIATION MODULATING AGENTS AND USES THEREFOR FGF1, FABP4, FGF2 NPSR1 3871/4885KDR 1077/4885KDM4E 2405/4885
US-20050282733-A1 Differentiation modulating agents and uses therefor FGF1, FABP4, FGF2 NPSR1 3871/4885KDR 1077/4885KDM4E 2405/4885

“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.