SCHEMBL2227897

SCHEMBL2227897

COc1ccc(C#Cc2ncc(-c3cccc(Nc4cc(C)ccn4)n3)o2)cc1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KARS1 Q15046 12/20 0.47
ALDH1A1 P00352 3/20 0.38
KDM4E B2RXH2 3/20 0.38
TP53 P04637 2/20 0.38
CCNA2 P20248 1/20 0.37
CDK2 P24941 1/20 0.37
TTK P33981 1/20 0.37
SYK P43405 2/20 0.36
MAPK10 P53779 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
NPC1 O15118 2/20 0.36
MAPT P10636 2/20 0.36
PKM P14618 2/20 0.36
RAB9A P51151 2/20 0.36
MITF O75030 1/20 0.36
XBP1 P17861 1/20 0.36
HTT P42858 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
SCHEMBL2225670 0.89 KARS1 (0.52) KARS1SYKNPC1RAB9A
SCHEMBL14673481 0.88 KARS1 (0.49) KARS1SYK
SCHEMBL2225285 0.80 KARS1 (0.47) KARS1ALDH1A1KDM4ETP53CCNA2
SCHEMBL2225286 0.80 KARS1 (0.47) KARS1ALDH1A1KDM4ETP53CCNA2
SCHEMBL2226095 0.79 KARS1 (0.46) KARS1ALDH1A1TP53MAPK10SMN1; SMN2
SCHEMBL2227056 0.76 KARS1 (0.58) KARS1SYKNPC1RAB9A
SCHEMBL2227009 0.76 KARS1 (0.58) KARS1SYKNPC1RAB9A
SCHEMBL14673806 0.74 KARS1 (0.49) KARS1ALDH1A1KDM4ETP53SMN1; SMN2
SCHEMBL14673942 0.74 KARS1 (0.52) KARS1ALDH1A1KDM4ETP53SYK
SCHEMBL14673237 0.74 KARS1 (0.48) KARS1SYKNPC1RAB9A

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
EP-2523952-B1 OXAZOLE KINASE INHIBITORS AB SCIENCE (FR) 2015-03-04 EP claimed
WO-2011086085-A1 THIAZOLE AND OXAZOLE KINASE INHIBITORS AB SCIENCE (FR) 2011-07-21 WO claimed
EP-2523952-B1 OXAZOLE KINASE INHIBITORS AB SCIENCE (FR) 2015-03-04 EP disclosed
US-8962665-B2 Thiazole and oxazole kinase inhibitors AB SCIENCE (FR) 2015-02-24 US disclosed
US-8962665-B2 Thiazole and oxazole kinase inhibitors AB SCIENCE (FR) 2015-02-24 US disclosed
US-8962665-B2 Thiazole and oxazole kinase inhibitors AB SCIENCE (FR) 2015-02-24 US disclosed
US-20130035331-A1 THIAZOLE AND OXAZOLE KINASE INHIBITORS AB SCIENCE (FR) 2013-02-07 US disclosed
US-20130035331-A1 THIAZOLE AND OXAZOLE KINASE INHIBITORS AB SCIENCE (FR) 2013-02-07 US disclosed
US-20130035331-A1 THIAZOLE AND OXAZOLE KINASE INHIBITORS AB SCIENCE (FR) 2013-02-07 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-20130035331-A1 THIAZOLE AND OXAZOLE KINASE INHIBITORS SYK, LTK, MERTK KARS1 1099/4885ALDH1A1 2367/4885KDM4E 873/4885

“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.