SCHEMBL13757232

SCHEMBL13757232

Cc1nc(C)c2c(C)c(C)sc2c1C

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 2/20 0.34
▸ GAA P10253 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ GAK O14976 1/20 0.33
▸ ABCB1 P08183 2/20 0.32
▸ LIMK1 P53667 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ NOS1 P29475 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ ELANE P08246 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
SCHEMBL13757219 0.81 MAPK1 (0.34) MAPK1GAAMAPTHSD17B10GAK
SCHEMBL16284912 0.73 LIMK1 (0.33) MAPK1GAAMAPTHSD17B10GAK
SCHEMBL12194735 0.73 LIMK1 (0.33) MAPK1GAAMAPTHSD17B10GAK
SCHEMBL10314556 0.73 ELANE (0.35) MAPK1HSD17B10ELANE
SCHEMBL16284922 0.70 NOS1 (0.33) NOS1
SCHEMBL16284930 0.69 LIMK1 (0.31) MAPK1GAAMAPTHSD17B10LIMK1
SCHEMBL15142408 0.69 LIMK1 (0.31) MAPK1GAAMAPTHSD17B10LIMK1
SCHEMBL2388405 0.69 LIMK1 (0.31) MAPK1GAAMAPTHSD17B10LIMK1
SCHEMBL15142122 0.68 LIMK1 (0.33) MAPK1GAAMAPTHSD17B10GAK
SCHEMBL12194737 0.67 LIMK1 (0.30) LIMK1L3MBTL1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8791262-B2 Asymmetric friedel-crafts alkylations catalyzed by bifunctional cinchona alkaloids BRANDEIS UNIVERSITY (US) 2014-07-29 — — US disclosed
US-20090203913-A1 Asymmetric Friedel-Crafts Alkylations Catalyzed By Bifunctional Cinchona Alkaloids BRANDEIS UNIVERSITY 2009-08-13 — — 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 (1 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-20090203913-A1 Asymmetric Friedel-Crafts Alkylations Catalyzed By Bifunctional Cinchona Alkaloids COASY, AANAT, PCNA MAPK1 4725/4885GAA 639/4885MAPT 4575/4885

“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.

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