SCHEMBL21386596

SCHEMBL21386596

COc1cc(/C=N/N)cc(OC)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1B1 Q16678 7/20 0.56
CYP1A1 P04798 6/20 0.56
PTGS2 P35354 3/20 0.51
ALDH1A1 P00352 1/20 0.50
NQO2 P16083 5/20 0.47
CYP19A1 P11511 2/20 0.47
CYP1A2 P05177 3/20 0.47
ABL1 P00519 3/20 0.47
BCR P11274 3/20 0.47
TTR P02766 3/20 0.47
ESR1 P03372 2/20 0.47
ABCB1 P08183 2/20 0.47
ALOX5 P09917 2/20 0.47
TUBB4A P04350 1/20 0.47
TUBB P07437 1/20 0.47
TUBA3C P0DPH7 1/20 0.47
AHR P35869 1/20 0.47
TUBA1B P68363 1/20 0.47
TUBA4A P68366 1/20 0.47
TUBB4B P68371 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
SCHEMBL10706017 0.81 CHRM5 (0.63) CYP1B1CYP1A1PTGS2ALDH1A1NQO2
SCHEMBL27885399 0.79 CHRM5 (0.72) PTGS2ALDH1A1NQO2CYP19A1CYP1A2
SCHEMBL31182402 0.79 CHRM5 (0.72) PTGS2ALDH1A1NQO2CYP19A1CYP1A2
SCHEMBL14950238 0.79 CHRM5 (0.72) PTGS2ALDH1A1NQO2CYP19A1CYP1A2
SCHEMBL5313268 0.78 MKNK2 (0.53) CYP1B1CYP1A1PTGS2CYP1A2CHRM5
SCHEMBL13128174 0.77 CYP1B1 (0.56) CYP1B1CYP1A1PTGS2ALDH1A1NQO2
SCHEMBL3657928 0.77 GRIN2D (0.58) PTGS2ALDH1A1CYP1A2KDM4EGAA
SCHEMBL3971293 0.77 GRIN2D (0.58) PTGS2ALDH1A1CYP1A2KDM4EGAA
SCHEMBL23634786 0.76 LMNA (0.54) CYP1B1CYP1A1ALDH1A1CYP1A2TUBB4A
SCHEMBL15986625 0.74 CYP1B1 (0.52) CYP1B1CYP1A1PTGS2ALDH1A1NQO2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11008292-B2 FGFR4 inhibitor and preparation method and use thereof GUANGDONG ZHONGSHENG PHARMACEUTICAL CO., LTD (CN) 2021-05-18 US disclosed
EP-3543227-B1 FGFR4 INHIBITOR AND PREPARATION METHOD AND USE THEREOF GUANGDONG ZHONGSHENG PHARMACEUTICAL CO LTD (CN) 2020-12-30 EP disclosed
US-20200062716-A1 FGFR4 INHIBITOR AND PREPARATION METHOD AND USE THEREOF GUANGDONG ZHONGSHENG PHARMACEUTICAL CO., LTD (CN) 2020-02-27 US disclosed
EP-3543227-A1 FGFR4 INHIBITOR AND PREPARATION METHOD AND USE THEREOF Guangdong Zhongsheng Pharmaceutical Co., Ltd (CN) 2019-09-25 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-11008292-B2 FGFR4 inhibitor and preparation method and use thereof FGFR4, FGFR1, FGFR2 CYP1B1 556/4885CYP1A1 1432/4885PTGS2 3992/4885
US-20200062716-A1 FGFR4 INHIBITOR AND PREPARATION METHOD AND USE THEREOF FGFR4, FGFR1, FGFR2 CYP1B1 556/4885CYP1A1 1432/4885PTGS2 3992/4885

“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.