SCHEMBL17212408

SCHEMBL17212408

CN(C)c1nc(-c2ccccc2)nc2ccc(-c3ccccc3Cl)cc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2D6 P10635 15/20 0.52
▸ CYP1A2 P05177 14/20 0.52
▸ CYP3A4 P08684 12/20 0.52
▸ CYP2C19 P33261 10/20 0.52
▸ TSHR P16473 10/20 0.52
▸ CYP2C9 P11712 8/20 0.52
▸ ALDH1A1 P00352 8/20 0.52
▸ LMNA P02545 6/20 0.52
▸ HPGD P15428 4/20 0.52
▸ GLA P06280 2/20 0.52
▸ KDM4E B2RXH2 2/20 0.52
▸ HIF1A Q16665 2/20 0.52
▸ MAPT P10636 2/20 0.52
▸ RECQL P46063 1/20 0.52
▸ SMN1; SMN2 Q16637 1/20 0.52
▸ CLK4 Q9HAZ1 9/20 0.48
▸ HSD17B10 Q99714 5/20 0.48
▸ USP2 O75604 5/20 0.48
▸ MAPK1 P28482 4/20 0.48
▸ ALOX15 P16050 4/20 0.48

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
SCHEMBL14727535 0.91 CYP1A2 (0.65) CYP2D6CYP1A2CYP3A4TSHRCYP2C9
SCHEMBL17212422 0.81 CYP2D6 (0.49) CYP2D6CYP1A2CYP3A4CYP2C19TSHR
SCHEMBL1083911 0.79 CYP2D6 (0.70) CYP2D6CYP1A2CYP3A4CYP2C19TSHR
SCHEMBL17212424 0.78 ABCG2 (0.51) CYP2D6CYP1A2CYP3A4CYP2C19TSHR
SCHEMBL17214441 0.77 CYP1A2 (0.66) CYP2D6CYP1A2CYP3A4CYP2C19TSHR
SCHEMBL17212406 0.77 ABCG2 (0.62) CYP2D6CYP1A2CYP3A4CYP2C19TSHR
SCHEMBL14474077 0.76 CYP1A2 (0.65) CYP2D6CYP1A2CYP3A4TSHRCYP2C9
SCHEMBL14475165 0.74 CYP1A2 (0.62) CYP2D6CYP1A2CYP3A4CYP2C19TSHR
SCHEMBL16404334 0.74 CYP2D6 (0.87) CYP2D6CYP1A2CYP3A4CYP2C19TSHR
SCHEMBL1083866 0.74 CYP2D6 (0.81) CYP2D6CYP1A2CYP3A4CYP2C19TSHR

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-20150307477-A1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE GALENEA CORPORATION 2015-10-29 — — 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-20150307477-A1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE PPP4C, PTPRG, PPP2CA CYP2D6 4717/4885CYP1A2 4552/4885CYP3A4 4815/4885

“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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