SCHEMBL13098456

SCHEMBL13098456

CCCCCc1nn(-c2ccc(C)cc2)c2ncccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ HPGD P15428 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ HTT P42858 2/20 0.37
▸ LMNA P02545 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ PDE10A Q9Y233 2/20 0.37
▸ KAT2B Q92831 2/20 0.36
▸ L3MBTL1 Q9Y468 2/20 0.36
▸ PDE4A P27815 1/20 0.36
▸ PDE4B Q07343 1/20 0.36
▸ PDE4C Q08493 1/20 0.36
▸ PDE4D Q08499 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ CA9 Q16790 1/20 0.36
▸ ADORA3 P0DMS8 1/20 0.36
▸ CNR1 P21554 1/20 0.35
▸ CNR2 P34972 1/20 0.35

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
SCHEMBL13098218 0.80 HPGD (0.41) CYP1A2CYP2C9HPGDCYP2C19HTT
SCHEMBL3061869 0.77 HPGD (0.40) CYP1A2CYP2C9HPGDCYP2C19HTT
SCHEMBL9284669 0.70 KHK (0.48) HPGDHTTLMNASMN1; SMN2L3MBTL1
SCHEMBL23400342 0.68 TP53 (0.38) CYP1A2CYP2C9HPGDCYP2C19HTT
SCHEMBL9876681 0.68 CCNA2 (0.49) CYP1A2CYP2C9HPGDCYP2C19LMNA
SCHEMBL23403366 0.67 ALDH1A1 (0.40) CYP1A2CYP2C9CYP2C19HTTLMNA
SCHEMBL23400401 0.67 TP53 (0.36) CYP1A2CYP2C9CYP2C19HTTLMNA
SCHEMBL15856910 0.66 L3MBTL1 (0.50) CYP2C9CYP2C19L3MBTL1TDP1
SCHEMBL23402250 0.66 TP53 (0.42) CYP1A2CYP2C9CYP2C19LMNASMN1; SMN2
SCHEMBL23400175 0.66 RAB9A (0.35) CYP1A2CYP2C9CYP2C19HTTLMNA

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-20100261900-A1 Process for the palladium-catalyzed coupling of terminal alkynes with heteroaryl tosylates and heteroaryl benzenesulfonates SANOFI-AVENTIS (FR) 2010-10-14 — — 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-20100261900-A1 Process for the palladium-catalyzed coupling of terminal alkynes with heteroaryl tosylates and heteroaryl benzenesulfonates DDT, TYR, DDC CYP1A2 286/4885CYP2C9 298/4885HPGD 2522/4885

“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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