SCHEMBL1048385

SCHEMBL1048385

COC(=O)c1c(C#CCCCN2C(=O)c3ccccc3C2=O)ccnc1OC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 3/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ ALDH1A1 P00352 6/20 0.39
▸ GAA P10253 2/20 0.38
▸ PGK1 P00558 1/20 0.38
▸ CYP1A2 P05177 2/20 0.37
▸ CYP3A4 P08684 2/20 0.37
▸ CYP2C9 P11712 2/20 0.37
▸ L3MBTL1 Q9Y468 2/20 0.37
▸ RAB9A P51151 2/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ APEX1 P27695 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ MAPT P10636 1/20 0.37

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
SCHEMBL12794752 0.94 PGK1 (0.43) HSD17B10MEN1KMT2AALDH1A1GAA
SCHEMBL13752970 0.82 MEN1 (0.44) HSD17B10MEN1KMT2AALDH1A1GAA
SCHEMBL12794734 0.76 TDP1 (0.39) MEN1KMT2AALDH1A1GAAL3MBTL1
SCHEMBL1048063 0.72 KDM4E (0.44) MEN1KMT2AALDH1A1L3MBTL1RAB9A
SCHEMBL13752971 0.72 KMT2A (0.42) HSD17B10MEN1KMT2AALDH1A1RAB9A
SCHEMBL104608 0.68 HSD17B10 (0.51) HSD17B10MEN1KMT2AALDH1A1CYP1A2
SCHEMBL17820783 0.68 PGK1 (0.48) HSD17B10KMT2AALDH1A1PGK1L3MBTL1
SCHEMBL12960743 0.67 MAPT (0.45) HSD17B10MEN1KMT2ARAB9ATDP1
SCHEMBL15584983 0.66 PGK1 (0.48) ALDH1A1PGK1RAB9AKDM4EPOLB
SCHEMBL12709324 0.66 ALDH1A1 (0.45) KMT2AALDH1A1RAB9ASMN1; SMN2MAPT

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 HSD17B10 3476/4885MEN1 3818/4885KMT2A 1958/4885

“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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