SCHEMBL1266478

SCHEMBL1266478

Cc1cc(Nc2c(C(=O)O)sc3c2ccc(=O)n3-c2ccccc2)ccc1F.[LiH]

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 1/20 0.35
KCNJ6 P48051 3/20 0.35
KCNJ5 P48544 3/20 0.35
KCNJ3 P48549 3/20 0.35
IDO1 P14902 1/20 0.35
TDO2 P48775 1/20 0.35
CSF1R P07333 1/20 0.34
FPR2 P25090 3/20 0.33
MAPT P10636 3/20 0.33
DHODH Q02127 1/20 0.33
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
KMT2A Q03164 1/20 0.33
TOP2A P11388 1/20 0.33
G6PD P11413 1/20 0.33
TLR9 Q9NR96 1/20 0.33
GNRHR P30968 1/20 0.32
POLB P06746 1/20 0.32
HPGDS O60760 1/20 0.32
PRMT5 O14744 1/20 0.32

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
Ammonia Solution, Strong SCHEMBL2958892 0.98 CHRNA7 (0.35) CHRNA7KCNJ6KCNJ5KCNJ3IDO1
SCHEMBL2952198 0.91 CSF1R (0.39) CHRNA7KCNJ6KCNJ5KCNJ3TDO2
SCHEMBL2959282 0.90 CHRNA7 (0.35) CHRNA7KCNJ6KCNJ5KCNJ3CSF1R
Lithium Ion SCHEMBL1266477 0.90 CHRNA7 (0.35) CHRNA7KCNJ6KCNJ5KCNJ3IDO1
SCHEMBL1267006 0.89 DHODH (0.44) MAPTDHODHMEN1KMT2APOLB
SCHEMBL1266727 0.87 DHODH (0.34) CHRNA7KCNJ6KCNJ5KCNJ3IDO1
Ammonia Solution, Strong SCHEMBL2956251 0.86 MAPT (0.41) CHRNA7IDO1TDO2MAPTMEN1
SCHEMBL1267284 0.86 ADORA2B (0.35) CHRNA7KCNJ6KCNJ5KCNJ3CSF1R
SCHEMBL5668001 0.85 KHK (0.34) CHRNA7KCNJ6KCNJ5KCNJ3MAPT
SCHEMBL5667681 0.84 HTR1F (0.36) CHRNA7KCNJ6KCNJ5KCNJ3MAPT

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 4 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
US-20060247269-A1 Thienopyridone derivatives as kinase inhibitors UCB PHARMA S.A. (BE) 2006-11-02 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 (3 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 CHRNA7 3397/4885KCNJ6 2059/4885KCNJ5 2601/4885
US-20060247269-A1 Thienopyridone derivatives as kinase inhibitors MAPKAPK2, MAP3K6, MAP3K12 CHRNA7 3757/4885KCNJ6 1476/4885KCNJ5 2079/4885
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 CHRNA7 1693/4885KCNJ6 2051/4885KCNJ5 2657/4885

“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.