SCHEMBL12895320

SCHEMBL12895320

Cn1c(=O)ccc2c(Br)c(C(=O)O)sc21

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 5/20 0.35
MCL1 Q07820 2/20 0.32
BCL2L1 Q07817 1/20 0.32
BCKDK O14874 1/20 0.30
RXFP1 Q9HBX9 1/20 0.30
DAO P14920 2/20 0.30
ADORA2A P29274 1/20 0.30
ADORA1 P30542 1/20 0.30
MKNK1 Q9BUB5 1/20 0.30
MKNK2 Q9HBH9 1/20 0.30
BCAT2 O15382 1/20 0.30
LMNA P02545 1/20 0.30
HPGD P15428 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
SCHEMBL12895325 0.80 HPGD (0.38) HPGD
SCHEMBL1267416 0.78 ALDH1A1 (0.36) MCL1LMNAHPGD
SCHEMBL1266759 0.75 BCKDK (0.36) BCKDKLMNA
SCHEMBL13871333 0.74 OPRK1 (0.33)
SCHEMBL1266124 0.73 NOTUM (0.39) MCL1RXFP1LMNAHPGD
SCHEMBL2947085 0.70 KMT2A (0.45) LMNAHPGD
SCHEMBL4277521 0.65 MCL1 (0.67) GPR35MCL1BCL2L1BCKDKRXFP1
SCHEMBL2950087 0.65 UCHL1 (0.35) GPR35MCL1BCKDKRXFP1DAO
SCHEMBL3492612 0.64 IKBKB (0.55) GPR35RXFP1LMNAHPGD
SCHEMBL346530 0.62 MCL1 (0.62) MCL1BCL2L1RXFP1LMNAHPGD

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 GPR35 3818/4885MCL1 884/4885BCL2L1 2170/4885
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 GPR35 2592/4885MCL1 2227/4885BCL2L1 1527/4885

“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.