SCHEMBL17212424

SCHEMBL17212424

CN(C)c1nc(-c2ccccc2)nc2ccc(-c3ccc(F)cc3F)cc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABCG2 Q9UNQ0 1/20 0.51
▸ CYP2D6 P10635 11/20 0.49
▸ CYP1A2 P05177 10/20 0.49
▸ CYP3A4 P08684 9/20 0.49
▸ CYP2C19 P33261 7/20 0.49
▸ CYP2C9 P11712 6/20 0.49
▸ TSHR P16473 6/20 0.49
▸ ALDH1A1 P00352 5/20 0.49
▸ LMNA P02545 5/20 0.49
▸ HPGD P15428 3/20 0.49
▸ MAPT P10636 3/20 0.49
▸ GLA P06280 2/20 0.49
▸ KDM4E B2RXH2 2/20 0.49
▸ HIF1A Q16665 2/20 0.49
▸ RECQL P46063 1/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.49
▸ CLK4 Q9HAZ1 6/20 0.45
▸ HSD17B10 Q99714 5/20 0.45
▸ ALOX15 P16050 4/20 0.45
▸ USP2 O75604 3/20 0.45

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
SCHEMBL14727592 0.90 CYP1A2 (0.59) ABCG2CYP2D6CYP1A2CYP3A4CYP2C19
SCHEMBL17212406 0.84 ABCG2 (0.62) ABCG2CYP2D6CYP1A2CYP3A4CYP2C19
SCHEMBL17212422 0.82 CYP2D6 (0.49) ABCG2CYP2D6CYP1A2CYP3A4CYP2C19
SCHEMBL1083778 0.82 CYP2D6 (0.63) ABCG2CYP2D6CYP1A2CYP3A4CYP2C19
SCHEMBL14474077 0.80 CYP1A2 (0.65) CYP2D6CYP1A2CYP3A4CYP2C9TSHR
SCHEMBL20273720 0.79 CYP1A2 (0.57) ABCG2CYP2D6CYP1A2CYP3A4CYP2C19
SCHEMBL1084357 0.79 CYP1A2 (0.56) ABCG2CYP2D6CYP1A2CYP3A4CYP2C19
SCHEMBL17212408 0.78 CYP2D6 (0.52) CYP2D6CYP1A2CYP3A4CYP2C19CYP2C9
SCHEMBL14727627 0.77 GBA1 (0.55) ALDH1A1MAPTSMN1; SMN2
SCHEMBL1083856 0.77 CYP2D6 (0.74) ABCG2CYP2D6CYP1A2CYP3A4CYP2C19

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 ABCG2 3042/4885CYP2D6 4717/4885CYP1A2 4552/4885

“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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