SCHEMBL25138530

SCHEMBL25138530

N#Cc1cc(C#N)c(-n2c3ccccc3c3ccccc32)cc1C1c2ccccc2-c2ccccc21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IMPDH2 P12268 1/20 0.36
▸ PPIA P62937 1/20 0.33
▸ ALDH1A1 P00352 5/20 0.33
▸ KDM4E B2RXH2 4/20 0.33
▸ MAPT P10636 2/20 0.33
▸ HSD17B10 Q99714 2/20 0.33
▸ HPGD P15428 1/20 0.33
▸ CASP1 P29466 1/20 0.33
▸ SMN1; SMN2 Q16637 3/20 0.33
▸ MEN1 O00255 3/20 0.33
▸ KMT2A Q03164 3/20 0.33
▸ TDP1 Q9NUW8 2/20 0.33
▸ TSHR P16473 1/20 0.33
▸ ATM Q13315 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ LMNA P02545 1/20 0.32
▸ STAT3 P40763 1/20 0.31
▸ AR P10275 1/20 0.31
▸ USP8 P40818 1/20 0.31
▸ USP7 Q93009 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
SCHEMBL25086168 0.94 IMPDH2 (0.36) IMPDH2ALDH1A1KDM4EMAPTHSD17B10
SCHEMBL19303748 0.87 IMPDH2 (0.36) IMPDH2ALDH1A1KDM4EMAPTHSD17B10
SCHEMBL29412289 0.81 IMPDH2 (0.47) IMPDH2ALDH1A1KDM4EMAPTHSD17B10
SCHEMBL17779790 0.81 IMPDH2 (0.47) IMPDH2ALDH1A1KDM4EMAPTHSD17B10
SCHEMBL13912329 0.79 IMPDH2 (0.48) IMPDH2ALDH1A1KDM4EMAPTHSD17B10
SCHEMBL29454043 0.79 IMPDH2 (0.48) IMPDH2ALDH1A1KDM4EMAPTHSD17B10
SCHEMBL25138538 0.79 KDM4E (0.39) IMPDH2PPIAALDH1A1KDM4EMAPT
SCHEMBL27347478 0.79 ALDH1A1 (0.35) ALDH1A1KDM4EMAPTHSD17B10HPGD
SCHEMBL19755547 0.79 IMPDH2 (0.33) IMPDH2ALDH1A1KDM4EMAPTHSD17B10
SCHEMBL26518679 0.78 ALDH1A1 (0.43) ALDH1A1KDM4EMAPTHPGDSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230119624-A1 COMPOSITION, FILM, ORGANIC LIGHT EMITTING ELEMENT, METHOD FOR PROVIDING LIGHT EMITTING COMPOSITION, AND PROGRAM KYULUX, INC. (JP) 2023-04-20 — — 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-20230119624-A1 COMPOSITION, FILM, ORGANIC LIGHT EMITTING ELEMENT, METHOD FOR PROVIDING LIGHT EMITTING COMPOSITION, AND PROGRAM SOS1, MLLT1, ESYT2 IMPDH2 4238/4885PPIA 1002/4885ALDH1A1 1488/4885

“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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