SCHEMBL6180145

SCHEMBL6180145

NC(=O)N(S)c1ccc(C(F)(F)F)cn1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.42
LMNA P02545 2/20 0.42
KDM4E B2RXH2 1/20 0.42
ABL1 P00519 1/20 0.42
PTGS1 P23219 2/20 0.41
TRPM8 Q7Z2W7 1/20 0.40
MAPK1 P28482 1/20 0.39
RAB9A P51151 4/20 0.38
NPC1 O15118 1/20 0.38
PTGIR P43119 1/20 0.36
GAA P10253 2/20 0.36
POLB P06746 1/20 0.36
ALDH1A1 P00352 1/20 0.35
HTT P42858 1/20 0.35
CES2 O00748 1/20 0.35
CES1 P23141 1/20 0.35
SCN9A Q15858 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
SCHEMBL27747166 0.75 KMT2A (0.51) KMT2AL3MBTL1LMNAKDM4EABL1
SCHEMBL525912 0.75 ADRA2A (0.41) KMT2AL3MBTL1RAB9APTGIRALDH1A1
SCHEMBL6179196 0.75 RAB9A (0.41) KMT2AKDM4ERAB9ANPC1ALDH1A1
SCHEMBL2659434 0.75 GBA1 (0.44) KMT2AKDM4ERAB9ANPC1ALDH1A1
SCHEMBL525760 0.74 CES2 (0.45) KMT2APTGS1CES2CES1
SCHEMBL8336657 0.74 L3MBTL1 (0.41) KMT2AL3MBTL1LMNAKDM4EPTGS1
SCHEMBL28321706 0.73 KMT2A (0.41) KMT2AL3MBTL1LMNAKDM4EABL1
SCHEMBL2863010 0.73 HCAR3 (0.51) KDM4EALDH1A1
SCHEMBL6176392 0.72 AOC3 (0.36) KDM4E
SCHEMBL14742483 0.71 PARP10 (0.41) KMT2AKDM4EALDH1A1CES2CES1

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-20140329863-A1 NOVEL ANTIPRION COMPOUNDS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2014-11-06 US disclosed
WO-2013033037-A2 NOVEL ANTIPRION COMPOUNDS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2013-03-07 WO disclosed
EP-1218376-B1 TYROSINE KINASE INHIBITORS MERCK & CO INC (US) 2005-11-09 EP disclosed
US-6586424-B2 Anticancer agents; anticholesterol agents MERCK & CO., INC. 2003-07-01 US disclosed
US-6586423-B2 2-(Pyridin-2-ylamino)-thiazole-5-carbonitrile derivatives; angiogenesis inhibitors; antitumor and anticarcinogenic agents; atherosclerosis, macular degeneration, diabetic retinopathy MERCK & CO., INC. 2003-07-01 US disclosed
EP-1218376-A4 TYROSINE KINASE INHIBITORS MERCK & CO INC (US) 2002-11-20 EP disclosed
US-20020147203-A1 Tyrosine kinase inhibitors MERCK & CO., INC. 2002-10-10 US disclosed
EP-1218376-A1 TYROSINE KINASE INHIBITORS Merck & Co., Inc. (US) 2002-07-03 EP disclosed
WO-2001017995-A1 TYROSINE KINASE INHIBITORS MERCK & CO., INC. (US) 2001-03-15 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 (2 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-20020147203-A1 Tyrosine kinase inhibitors ERBB2, TYRO3, TIE1 KMT2A 3298/4885L3MBTL1 2910/4885LMNA 3751/4885
US-20140329863-A1 NOVEL ANTIPRION COMPOUNDS PRNP, PSEN1, PSEN2 KMT2A 4582/4885L3MBTL1 2935/4885LMNA 928/4885

“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.