SCHEMBL4720003

SCHEMBL4720003

Cc1c(Cl)ncnc1-c1ccc(C(F)(F)F)cc1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 5/20 0.40
TOP1 P11387 1/20 0.40
KIT P10721 2/20 0.39
MKNK1 Q9BUB5 1/20 0.38
MKNK2 Q9HBH9 1/20 0.38
ACACB O00763 1/20 0.38
TRPV1 Q8NER1 3/20 0.36
GPBAR1 Q8TDU6 1/20 0.36
DYRK1A Q13627 1/20 0.36
DYRK2 Q92630 1/20 0.36
KMO O15229 1/20 0.36
DHODH Q02127 1/20 0.36

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
SCHEMBL16068107 0.81 KMO (0.44) GPBAR1DYRK1ADYRK2KMO
SCHEMBL5648158 0.80 SMN1; SMN2 (0.41) KITKMO
SCHEMBL5646419 0.80 L3MBTL1 (0.46) KITKMO
SCHEMBL4720698 0.80 ALOX5AP (0.40) KIF11KITMKNK1MKNK2TRPV1
SCHEMBL604021 0.77 ADORA2A (0.46) KMO
SCHEMBL9493312 0.77 KIF11 (0.47) KIF11DYRK1ADYRK2
SCHEMBL16068267 0.76 KDM1A (0.36) DYRK1A
SCHEMBL5647677 0.75 ALDH1A1 (0.50) DYRK1A
SCHEMBL6033642 0.73 DHODH (0.56) TRPV1DYRK1ADHODH
SCHEMBL14742017 0.72 KMO (0.63) KMO

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7442701-B2 Amino-heterocycles as VR-1 antagonists for treating pain MERCK SHARP & DOHME LTD. (GB) 2008-10-28 US disclosed
EP-1562934-B1 AMINO-HETEROCYCLES AS VR-1 ANTAGONISTS FOR TREATING PAIN MERCK SHARP & DOHME (GB) 2008-03-26 EP disclosed
CN-100349856-C Propionic acid derivatives and their use as hPPAR activators SMITHKLINE BEECHAM CORP (US) 2007-11-21 CN disclosed
US-7199239-B2 Chemical compounds SMITHKLINE BEECHAM CORPORATION (US) 2007-04-03 US disclosed
US-7199239-B2 Chemical compounds SMITHKLINE BEECHAM CORPORATION (US) 2007-04-03 US disclosed
US-7199239-B2 Chemical compounds SMITHKLINE BEECHAM CORPORATION (US) 2007-04-03 US disclosed
US-20060074111-A1 Chemical compounds SMITHKLINE BEECHAM CORPORATION 2006-04-06 US disclosed
US-20060040947-A1 Amino-heterocycles as vr-1 antagonists for treating pain MERCK SHARP & DOHME LTD. (GB) 2006-02-23 US disclosed
CN-1675168-A Propionic acid derivatives and their use as hPPARs activators SMITHKLINE BEECHAM CORP (US) 2005-09-28 CN disclosed
EP-1513795-A2 PROPIONIC ACID DERIVATIVES AND THEIR USE AS HPPARS ACTIVATORS SMITHKLINE BEECHAM CORPORATION (US) 2005-03-16 EP disclosed
WO-2004000762-A2 PROPIONIC ACID DERIVATIVES AND THEIR USE AS HPPARS ACTIVATORS SMITHKLINE BEECHAM CORPORATION (US) 2003-12-31 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-20060074111-A1 Chemical compounds HDAC3, HAT1, H1-3 KIF11 2312/4885TOP1 824/4885KIT 2335/4885
US-20060040947-A1 Amino-heterocycles as vr-1 antagonists for treating pain OPRL1, CNR1, GPR6 KIF11 4511/4885TOP1 4589/4885KIT 3925/4885

“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.