SCHEMBL12794734

SCHEMBL12794734

COC(=O)c1c(C#CCc2ccccc2)ccnc1OC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 1/20 0.39
▸ MAPT P10636 2/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ PKM P14618 2/20 0.38
▸ LMNA P02545 2/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ L3MBTL1 Q9Y468 2/20 0.38
▸ MMP13 P45452 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ KDM5B Q9UGL1 1/20 0.37
▸ ACACB O00763 1/20 0.36
▸ MMP2 P08253 1/20 0.36
▸ PLA2G2A P14555 1/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ AR P10275 1/20 0.36
▸ HSP90AA1 P07900 1/20 0.35

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
SCHEMBL12794792 0.88 SQOR (0.36) MAPTALDH1A1PKMMEN1KMT2A
SCHEMBL1048063 0.83 KDM4E (0.44) TDP1ALDH1A1LMNAMEN1KMT2A
SCHEMBL12794752 0.78 PGK1 (0.43) TDP1MAPTALDH1A1MEN1KMT2A
SCHEMBL12794794 0.75 ALDH1A1 (0.46) MAPTALDH1A1PKMLMNAMEN1
SCHEMBL13752829 0.72 GABRA1 (0.50) TDP1MAPTALDH1A1LMNAMEN1
SCHEMBL2527155 0.69 KDM4E (0.42) TDP1ALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL6904185 0.69 ALDH1A1 (0.44) TDP1ALDH1A1PKML3MBTL1RAB9A
SCHEMBL30335374 0.69 KDM4E (0.42) TDP1ALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL31289933 0.69 CA1 (0.55) TDP1ALDH1A1LMNAL3MBTL1POLB
SCHEMBL31289996 0.69 CA1 (0.55) TDP1ALDH1A1LMNAL3MBTL1POLB

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 TDP1 743/4885MAPT 3197/4885ALDH1A1 4436/4885
US-20110003798-A1 COMPOUNDS AND COMPOSITIONS AS KINASE INHIBITORS FYN, SYK, RET TDP1 659/4885MAPT 3127/4885ALDH1A1 2562/4885

“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