SCHEMBL23693729

SCHEMBL23693729

COC(=O)c1cc(Cc2ccnc(N)c2F)c2cncn2c1Nc1ccc(C)cc1F

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CYP2C9 P11712 2/20 0.41
▸ KCNH2 Q12809 7/20 0.36
▸ CSF1R P07333 1/20 0.36
▸ KDR P35968 3/20 0.33
▸ FLT1 P17948 2/20 0.33
▸ MAP2K2 P36507 1/20 0.33
▸ MAP2K1 Q02750 1/20 0.33
▸ CYP46A1 Q9Y6A2 1/20 0.32
▸ SCN5A Q14524 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ LCK P06239 1/20 0.31
▸ PDGFRB P09619 1/20 0.31
▸ DHODH Q02127 3/20 0.31
▸ HDAC3 O15379 1/20 0.31
▸ HDAC1 Q13547 1/20 0.31
▸ HDAC6 Q9UBN7 1/20 0.31
▸ LOXL2 Q9Y4K0 1/20 0.30

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
SCHEMBL23694098 0.92 CYP2C9 (0.41) CYP2C9KCNH2CSF1RKDRFLT1
SCHEMBL23693739 0.92 CYP2C9 (0.41) CYP2C9KCNH2CSF1RKDRFLT1
SCHEMBL23693732 0.91 CYP2C9 (0.52) CYP2C9KCNH2MAP2K2MAP2K1CYP2C19
Trifluoroacetic Acid SCHEMBL25208836 0.87 CYP2C9 (0.48) CYP2C9KCNH2MAP2K2MAP2K1CYP2C19
SCHEMBL24927715 0.84 CYP2C9 (0.34) CYP2C9KCNH2
SCHEMBL23694575 0.83 MAP2K1 (0.39) KCNH2CSF1RMAP2K2MAP2K1CYP46A1
SCHEMBL31401831 0.82 CSF1R (0.42) KCNH2CSF1RMAP2K2MAP2K1SCN5A
SCHEMBL23694149 0.82 CSF1R (0.42) KCNH2CSF1RMAP2K2MAP2K1SCN5A
SCHEMBL23694099 0.82 CYP2C9 (0.52) CYP2C9KCNH2MAP2K2MAP2K1CYP2C19
SCHEMBL23693735 0.82 CYP2C9 (0.52) CYP2C9KCNH2KDRMAP2K2MAP2K1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023003014-A1 METHOD FOR PRODUCING ARYLAMIDE DERIVATIVE 中外製薬株式会社 2023-01-26 — — WO disclosed
US-20230002333-A1 ARYLAMIDE DERIVATIVE HAVING ANTITUMOR ACTIVITY CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2023-01-05 — — US disclosed
WO-2021149776-A1 ARYLAMIDE DERIVATIVE HAVING ANTITUMOR ACTIVITY 中外製薬株式会社 2021-07-29 — — WO 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-20230002333-A1 ARYLAMIDE DERIVATIVE HAVING ANTITUMOR ACTIVITY BRAF, NRAS, KRAS CYP2C9 1914/4885KCNH2 1995/4885CSF1R 1142/4885

“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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