SCHEMBL17214441

SCHEMBL17214441

Cc1ccccc1-c1ccc2nc(-c3cccnc3)nc(N(C)C)c2c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 4/20 0.66
▸ CYP2D6 P10635 4/20 0.66
▸ CLK4 Q9HAZ1 4/20 0.66
▸ TSHR P16473 4/20 0.66
▸ CYP3A4 P08684 3/20 0.66
▸ CYP2C9 P11712 3/20 0.66
▸ ALDH1A1 P00352 2/20 0.66
▸ MEN1 O00255 1/20 0.66
▸ GLA P06280 1/20 0.66
▸ KMT2A Q03164 1/20 0.66
▸ MAPK1 P28482 3/20 0.55
▸ CYP2C19 P33261 2/20 0.55
▸ LMNA P02545 1/20 0.51
▸ HIF1A Q16665 1/20 0.51
▸ GBA1 P04062 14/20 0.51
▸ RXFP1 Q9HBX9 1/20 0.48
▸ KDM4E B2RXH2 1/20 0.47
▸ NPC1 O15118 1/20 0.47
▸ HPGD P15428 1/20 0.47
▸ AHR P35869 1/20 0.47

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
SCHEMBL18023028 0.89 CYP1A2 (0.58) CYP1A2CYP2D6CLK4TSHRCYP3A4
SCHEMBL14727535 0.88 CYP1A2 (0.65) CYP1A2CYP2D6CLK4TSHRCYP3A4
SCHEMBL14474077 0.88 CYP1A2 (0.65) CYP1A2CYP2D6CLK4TSHRCYP3A4
SCHEMBL14475165 0.86 CYP1A2 (0.62) CYP1A2CYP2D6CLK4TSHRCYP3A4
SCHEMBL14474995 0.85 ALDH1A1 (0.61) CYP1A2CYP2D6CLK4TSHRCYP3A4
SCHEMBL14727590 0.84 CYP1A2 (0.59) CYP1A2CYP2D6CLK4TSHRCYP3A4
SCHEMBL14474989 0.83 CYP1A2 (0.58) CYP1A2CYP2D6CLK4TSHRCYP3A4
SCHEMBL14474581 0.82 CYP3A4 (0.66) CYP1A2CYP2D6CLK4TSHRCYP3A4
SCHEMBL14475027 0.81 CYP1A2 (0.65) CYP1A2CYP2D6CLK4TSHRCYP3A4
SCHEMBL14474975 0.81 MEN1 (0.65) CYP1A2CYP2D6CLK4TSHRCYP3A4

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-20170217923-A1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2017-08-03 — — US disclosed
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 (2 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 CYP1A2 4552/4885CYP2D6 4717/4885CLK4 2170/4885
US-20170217923-A1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE PPP4C, PTPRG, PPP2CA CYP1A2 4552/4885CYP2D6 4717/4885CLK4 2170/4885

“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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