Sugi Predict

Sugi Predict / Compounds / SCHEMBL144063

SCHEMBL144063

SCHEMBL144063

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

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 11/20 0.37
▸ S1PR3 Q99500 1/20 0.36
▸ S1PR5 Q9H228 1/20 0.36
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ ATM Q13315 1/20 0.35
▸ KDM4E B2RXH2 3/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ TSHR P16473 2/20 0.34
▸ CHEK1 O14757 1/20 0.34
▸ HTR1A P08908 1/20 0.33
▸ DRD2 P14416 1/20 0.33
▸ HTR7 P34969 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
SCHEMBL6270308 0.84 PARP1 (0.41) KDRKMT2AKDM4EALDH1A1CHEK1
SCHEMBL145628 0.82 KDR (0.44) KDRKDM4EALDH1A1CHEK1
SCHEMBL143698 0.81 NPSR1 (0.43) KDRKDM4EALDH1A1TSHRCHEK1
SCHEMBL6315843 0.76 CHEK1 (0.61) KDRCHEK1
SCHEMBL142109 0.76 CHEK1 (0.54) KDRCHEK1
Trifluoroacetic Acid SCHEMBL5076114 0.74 CHEK1 (0.56) KDRCHEK1
SCHEMBL5082480 0.67 CHEK1 (0.58) KDRCHEK1
SCHEMBL143989 0.64 ALK (0.45) KDRKDM4EALDH1A1TSHRCHEK1
SCHEMBL7116590 0.64 CHEK1 (0.46) KDRKDM4EALDH1A1TSHRCHEK1
SCHEMBL14559410 0.64 KDR (0.57) KDRMEN1KMT2AKDM4EALDH1A1

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 9 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
WO-2003020276-A1 TYROSINE KINASE INHIBITORS MERCK & CO., INC. (US) 2003-03-13 — — WO 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
US-20040192725-A1 Tyrosine kinase inhibitors MERCK & CO., INC. 2004-09-30 — — US disclosed
WO-2003020276-A1 TYROSINE KINASE INHIBITORS MERCK & CO., INC. (US) 2003-03-13 — — 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 (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 KDR 5/4885S1PR3 1189/4885S1PR5 1402/4885
US-20120059047-A1 DIFFERENTIATION MODULATING AGENTS AND USES THEREFOR FGF1, FABP4, FGF2 KDR 1077/4885S1PR3 1869/4885S1PR5 1831/4885
US-20050282733-A1 Differentiation modulating agents and uses therefor FGF1, FABP4, FGF2 KDR 1077/4885S1PR3 1869/4885S1PR5 1831/4885

“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.