Sugi Predict

Sugi Predict / Compounds / SCHEMBL1266985

SCHEMBL1266985

SCHEMBL1266985

Cc1cccc(Nc2c(C(=O)N3CC[C@H](OC4CCCCO4)C3)sc3c2ccc(=O)n3-c2ccccc2Cl)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.38
▸ LMNA P02545 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ NPC1 O15118 2/20 0.33
▸ HPGD P15428 2/20 0.33
▸ RAB9A P51151 2/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ MDM2 Q00987 1/20 0.33
▸ CCNA2 P20248 1/20 0.32
▸ CDK2 P24941 1/20 0.32
▸ CCNA1 P78396 1/20 0.32
▸ CDK5 Q00535 1/20 0.32
▸ CDK5R1 Q15078 1/20 0.32
▸ TNK2 Q07912 1/20 0.32
▸ TDP1 Q9NUW8 2/20 0.32
▸ POLB P06746 1/20 0.32
▸ CCKAR P32238 1/20 0.31
▸ CCKBR P32239 1/20 0.31

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
SCHEMBL1266859 0.91 MAPK14 (0.31) CCNA2CDK2CCNA1CDK5CDK5R1
SCHEMBL1266654 0.86 MAPK14 (0.33) KMT2ASMN1; SMN2ALDH1A1CCNA2CDK2
SCHEMBL1266975 0.86 MAPK14 (0.33) KMT2ASMN1; SMN2ALDH1A1CCNA2CDK2
SCHEMBL1266131 0.84 MAPT (0.42) MAPTLMNAHPGDALDH1A1POLB
SCHEMBL1267428 0.83 CCNA2 (0.32) MAPTKMT2ACCNA2CDK2CCNA1
SCHEMBL1266306 0.83 CCNA2 (0.32) MAPTKMT2ACCNA2CDK2CCNA1
SCHEMBL3835719 0.81 MAPT (0.32) MAPTNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL3835724 0.81 MAPT (0.32) MAPTNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL3835721 0.81 MAPT (0.32) MAPTNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL1265295 0.78 ALDH1A1 (0.33) MAPTKMT2ANPC1RAB9AALDH1A1

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 MAPT 2018/4885LMNA 3754/4885KMT2A 3402/4885
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 MAPT 148/4885LMNA 3606/4885KMT2A 1655/4885

“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.