SCHEMBL1048063

SCHEMBL1048063

COC(=O)c1c(C#Cc2ccccc2)ccnc1OC

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ LMNA P02545 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ ACACB O00763 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.41
▸ HAO1 Q9UJM8 1/20 0.38
▸ FFAR1 O14842 4/20 0.38
▸ NPC1 O15118 2/20 0.37
▸ RAB9A P51151 2/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ NLRP3 Q96P20 1/20 0.37
▸ GRM5 P41594 2/20 0.37
▸ TSHR P16473 1/20 0.37
▸ EGLN1 Q9GZT9 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
SCHEMBL12794734 0.83 TDP1 (0.39) ALDH1A1LMNAL3MBTL1ACACBTDP1
SCHEMBL13752829 0.74 GABRA1 (0.50) ALDH1A1LMNATDP1NPC1RAB9A
SCHEMBL28861659 0.74 FFAR1 (0.49) KDM4EALDH1A1LMNAL3MBTL1FFAR1
SCHEMBL12794752 0.74 PGK1 (0.43) KDM4EALDH1A1L3MBTL1TDP1RAB9A
SCHEMBL1048385 0.72 HSD17B10 (0.40) KDM4EALDH1A1L3MBTL1TDP1RAB9A
SCHEMBL3710270 0.71 ACACB (0.59) KDM4EALDH1A1LMNAL3MBTL1ACACB
SCHEMBL31289933 0.71 CA1 (0.55) KDM4EALDH1A1LMNAL3MBTL1TDP1
SCHEMBL31289996 0.71 CA1 (0.55) KDM4EALDH1A1LMNAL3MBTL1TDP1
SCHEMBL2527155 0.71 KDM4E (0.42) KDM4EALDH1A1L3MBTL1TDP1MEN1
SCHEMBL6904185 0.71 ALDH1A1 (0.44) ALDH1A1L3MBTL1TDP1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8546370-B2 Compounds and compositions as kinase inhibitors IRM LLC (BM) 2013-10-01 — — US disclosed
US-8546370-B2 Compounds and compositions as kinase inhibitors IRM LLC (BM) 2013-10-01 — — US disclosed
US-8546370-B2 Compounds and compositions as kinase inhibitors IRM LLC (BM) 2013-10-01 — — US disclosed
US-20110003798-A1 COMPOUNDS AND COMPOSITIONS AS KINASE INHIBITORS IRM LLC (BM) 2011-01-06 — — US disclosed
US-20110003798-A1 COMPOUNDS AND COMPOSITIONS AS KINASE INHIBITORS IRM LLC (BM) 2011-01-06 — — US disclosed
EP-2238137-A1 COMPOUNDS AND COMPOSITIONS AS KINASE INHIBITORS IRM LLC (BM) 2010-10-13 — — EP disclosed
WO-2009097287-A1 COMPOUNDS AND COMPOSITIONS AS KINASE INHIBITORS IRM LLC (BM) 2009-08-06 — — 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 (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-20110003798-A1 COMPOUNDS AND COMPOSITIONS AS KINASE INHIBITORS FYN, SYK, RET KDM4E 2223/4885ALDH1A1 2562/4885LMNA 2865/4885

“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.

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