SCHEMBL1265295

SCHEMBL1265295

Cc1cc(Nc2c(C(=O)N3CC[C@H](OC4CCCCO4)C3)sc3c2ccc(=O)n3-c2ccc(F)cc2)ccc1F

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.33
MAPT P10636 3/20 0.33
KDM4E B2RXH2 1/20 0.33
GAA P10253 1/20 0.33
KMT2A Q03164 3/20 0.32
RXFP1 Q9HBX9 1/20 0.31
GFER P55789 2/20 0.31
USP2 O75604 1/20 0.31
POLB P06746 1/20 0.31
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30
MAPK14 Q16539 1/20 0.30
MEN1 O00255 1/20 0.30
HSD11B1 P28845 1/20 0.30
ERBB2 P04626 1/20 0.30

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
SCHEMBL3835724 0.95 MAPT (0.32) ALDH1A1MAPTUSP2NPC1RAB9A
SCHEMBL3835719 0.95 MAPT (0.32) ALDH1A1MAPTUSP2NPC1RAB9A
SCHEMBL3835721 0.95 MAPT (0.32) ALDH1A1MAPTUSP2NPC1RAB9A
SCHEMBL1268780 0.90 SMN1; SMN2 (0.31) ALDH1A1MAPT
SCHEMBL1266859 0.89 MAPK14 (0.31) MAPK14ERBB2
SCHEMBL1266485 0.89 MAPK14 (0.32) ALDH1A1KDM4EKMT2ARXFP1MAPK14
SCHEMBL1267319 0.89 MAPK14 (0.32) ALDH1A1KDM4EKMT2ARXFP1MAPK14
SCHEMBL1266634 0.85 HTR7 (0.33) ALDH1A1
SCHEMBL1266794 0.84 ALDH1A1 (0.37) ALDH1A1MAPTKDM4EGAAKMT2A
SCHEMBL1267029 0.82 POLB (0.33) ALDH1A1RXFP1POLBNPC1RAB9A

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-20110034495-A1 Method of Modulating Stress-Activated Protein Kinase System INTERMUNE, INC. (US) 2011-02-10 US disclosed
US-7521460-B2 Thienopyridone derivatives as kinase inhibitors UCB PHARMA S.A. (BE) 2009-04-21 US disclosed
US-20070099894-A1 e.g. 3-[(2,4-Difluorophenyl)amino]-2-{[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]carbonyl}-7-phenylthieno[2,3-b]pyridin-6(7H)-one; autoimmune, neurodegenerative disorders, antiinflammatory agent; p38 MAP kinase inhibitor CELLTECH R&D LIMITED (GB) 2007-05-03 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-20110034495-A1 Method of Modulating Stress-Activated Protein Kinase System MAPKAPK2, MAP3K6, MAP3K2 ALDH1A1 4333/4885MAPT 2018/4885KDM4E 3406/4885
US-20070099894-A1 e.g. 3-[(2,4-Difluorophenyl)amino]-2-{[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]carbonyl}-7-phenylthieno[2,3-b]pyridin-6(7H)-one; autoimmune, neurodegenerative disorders, antiinflammatory agent; p38 MAP kinase inhibitor MAPK1, MAPKAPK2, MAPK6 ALDH1A1 2989/4885MAPT 148/4885KDM4E 1576/4885

“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.