SCHEMBL20394451

SCHEMBL20394451

COc1cc(-c2cncnc2Oc2ccc(C(F)F)nc2)c(F)cc1F

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 2/20 0.34
▸ CYP17A1 P05093 2/20 0.34
▸ EGFR P00533 1/20 0.34
▸ TRPA1 O75762 2/20 0.33
▸ SCN9A Q15858 1/20 0.33
▸ MET P08581 1/20 0.33
▸ GRM5 P41594 1/20 0.32
▸ PRKDC P78527 1/20 0.32
▸ KCNH2 Q12809 1/20 0.32
▸ LMNA P02545 1/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ CYP2D6 P10635 1/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31
▸ TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL20394442 0.85 FEN1 (0.39) TRPA1CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL20394257 0.83 PDE10A (0.36) KDRCYP17A1EGFRTRPA1SCN9A
SCHEMBL20394399 0.83 CYP17A1 (0.34) KDRCYP17A1EGFRTRPA1GRM5
SCHEMBL20394182 0.82 CYP17A1 (0.35) KDRCYP17A1EGFRTRPA1SCN9A
SCHEMBL20394168 0.73 FEN1 (0.45) —
SCHEMBL20394466 0.72 FEN1 (0.37) TRPA1CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL20394378 0.71 NPC1 (0.39) —
SCHEMBL20394516 0.71 GPBAR1 (0.40) KDRCYP17A1EGFRSCN9ACYP1A2
SCHEMBL20406096 0.71 — —
SCHEMBL20406456 0.70 CYP17A1 (0.37) KDRCYP17A1EGFRSCN9AMET

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3351533-B1 BIARYL DERIVATIVE AND MEDICINE CONTAINING SAME KAKEN PHARMA CO LTD (JP) 2025-07-23 — — EP disclosed
US-10647675-B2 Biaryl derivative and medicine containing same KAKEN PHARMACEUTICAL CO., LTD. (JP) 2020-05-12 — — US disclosed
US-10647675-B2 Biaryl derivative and medicine containing same KAKEN PHARMACEUTICAL CO., LTD. (JP) 2020-05-12 — — US disclosed
US-20190055199-A1 BIARYL DERIVATIVE AND MEDICINE CONTAINING SAME KAKEN PHARMACEUTICAL CO., LTD. (JP) 2019-02-21 — — US disclosed
US-20190055199-A1 BIARYL DERIVATIVE AND MEDICINE CONTAINING SAME KAKEN PHARMACEUTICAL CO., LTD. (JP) 2019-02-21 — — US disclosed
EP-3351533-A1 BIARYL DERIVATIVE AND MEDICINE CONTAINING SAME Kaken Pharmaceutical Co., Ltd. (JP) 2018-07-25 — — EP disclosed
EP-3351533-A1 BIARYL DERIVATIVE AND MEDICINE CONTAINING SAME Kaken Pharmaceutical Co., Ltd. (JP) 2018-07-25 — — EP 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-10647675-B2 Biaryl derivative and medicine containing same MAN2B1, CBR3, MANBA KDR 4416/4885CYP17A1 122/4885EGFR 1186/4885
US-20190055199-A1 BIARYL DERIVATIVE AND MEDICINE CONTAINING SAME MAN2B1, CBR3, MANBA KDR 4416/4885CYP17A1 122/4885EGFR 1186/4885

“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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