SCHEMBL17212423

SCHEMBL17212423

CNc1nc(-c2ccccc2)nc2c(F)cc(-c3cccc(F)c3F)cc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 12/20 0.41
▸ CYP3A4 P08684 9/20 0.41
▸ CYP2C19 P33261 7/20 0.41
▸ CLK4 Q9HAZ1 6/20 0.41
▸ MAPK1 P28482 3/20 0.41
▸ ALDH1A1 P00352 3/20 0.41
▸ MEN1 O00255 3/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ CYP1A1 P04798 2/20 0.40
▸ CYP2D6 P10635 7/20 0.39
▸ HSD17B10 Q99714 6/20 0.39
▸ CYP2C9 P11712 4/20 0.39
▸ TDP1 Q9NUW8 3/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ LMNA P02545 2/20 0.39
▸ TSHR P16473 2/20 0.39
▸ ALOX15 P16050 2/20 0.39
▸ TP53 P04637 2/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ MAPT P10636 1/20 0.39

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
SCHEMBL14727588 0.88 CYP3A4 (0.51) CYP1A2CYP3A4CYP2C19CLK4MAPK1
SCHEMBL17212425 0.83 ADORA1 (0.44) CYP1A2CYP3A4CYP2C19CLK4MAPK1
SCHEMBL16184366 0.81 ALOX5AP (0.38) CYP1A2CYP3A4CYP2C19CLK4CYP2D6
SCHEMBL16183899 0.80 CYP1A2 (0.56) CYP1A2CYP3A4CYP2C19CLK4MAPK1
SCHEMBL14358686 0.80 CYP3A4 (0.47) CYP1A2CYP3A4CYP2C19CLK4MAPK1
SCHEMBL18023040 0.79 CYP3A4 (0.49) CYP1A2CYP3A4CYP2C19CLK4MAPK1
SCHEMBL16184409 0.78 CYP3A4 (0.48) CYP1A2CYP3A4CYP2C19CLK4MAPK1
SCHEMBL14474682 0.78 MAP4K1 (0.41) CYP1A2CYP3A4CYP2C19CLK4MAPK1
SCHEMBL16183493 0.78 CYP1A2 (0.46) CYP1A2CYP3A4CYP2C19CLK4MAPK1
SCHEMBL16183577 0.78 CYP1A2 (0.46) CYP1A2CYP3A4CYP2C19CLK4MAPK1

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 CYP1A2 4552/4885CYP3A4 4815/4885CYP2C19 4818/4885

“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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