SCHEMBL12794792

SCHEMBL12794792

COc1nccc(C#CCc2ccccc2)c1C(N)=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SQOR Q9Y6N5 1/20 0.36
▸ ALDH1A1 P00352 2/20 0.35
▸ USP2 O75604 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ ALOX15 P16050 1/20 0.35
▸ RECQL P46063 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ CDC7 O00311 1/20 0.35
▸ CCNE1 P24864 1/20 0.35
▸ CDK2 P24941 1/20 0.35
▸ DBF4 Q9UBU7 1/20 0.35
▸ FFAR1 O14842 1/20 0.35
▸ FFAR4 Q5NUL3 1/20 0.35
▸ HAO1 Q9UJM8 1/20 0.34
▸ ACACB O00763 1/20 0.34
▸ PKM P14618 1/20 0.34
▸ SLC13A5 Q86YT5 1/20 0.34
▸ PLK1 P53350 1/20 0.34

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 0.88 TDP1 (0.39) ALDH1A1MAPTHPGDACACBPKM
SCHEMBL12873970 0.76 ALDH1A1 (0.44) SQORALDH1A1USP2MAPTHPGD
SCHEMBL12794794 0.75 ALDH1A1 (0.46) SQORALDH1A1MAPTHPGDNPSR1
SCHEMBL1048063 0.70 KDM4E (0.44) ALDH1A1FFAR1HAO1ACACBMEN1
SCHEMBL30639530 0.70 SCN4A (0.49) ALDH1A1PKM
SCHEMBL2098279 0.69 POLB (0.41) SQORCDC7CCNE1CDK2DBF4
SCHEMBL7040741 0.69 IKBKB (0.50) SQORALDH1A1NPSR1CDC7CCNE1
SCHEMBL31272087 0.69 IKBKB (0.43) SQORNPSR1HSD17B10CDC7CCNE1
SCHEMBL14353384 0.69 POLB (0.54) SQORHSD17B10CDC7CCNE1CDK2
SCHEMBL28381719 0.68 NPC1 (0.62) ALDH1A1MAPTHPGDHSD17B10FFAR1

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 3 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-20110053897-A1 COMPOUNDS AND COMPOSITIONS AS SYK KINASE INHIBITORS IRM LLC (BM) 2011-03-03 — — US disclosed
US-20110003798-A1 COMPOUNDS AND COMPOSITIONS AS KINASE INHIBITORS IRM LLC (BM) 2011-01-06 — — 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 (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-20110053897-A1 COMPOUNDS AND COMPOSITIONS AS SYK KINASE INHIBITORS SYK, BTK, LYN SQOR 4127/4885ALDH1A1 4436/4885USP2 1574/4885
US-20110003798-A1 COMPOUNDS AND COMPOSITIONS AS KINASE INHIBITORS FYN, SYK, RET SQOR 4358/4885ALDH1A1 2562/4885USP2 4617/4885

“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.

Send feedback