SCHEMBL19533520

SCHEMBL19533520

O=[N+]([O-])c1ccc2ncn(-c3nc(Cl)ncc3F)c2c1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ FGFR1 P11362 2/20 0.54
▸ RPS6KA5 O75582 1/20 0.46
▸ ALDH1A1 P00352 6/20 0.43
▸ HTT P42858 3/20 0.43
▸ MKNK2 Q9HBH9 1/20 0.42
▸ MAPT P10636 2/20 0.41
▸ ALOX5 P09917 1/20 0.39
▸ HPGD P15428 2/20 0.39
▸ LCK P06239 1/20 0.39
▸ L3MBTL1 Q9Y468 2/20 0.38
▸ KMT2A Q03164 4/20 0.37
▸ OPRK1 P41145 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ MEN1 O00255 2/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL19533519 0.78 GLS (0.38) FGFR1RPS6KA5ALDH1A1MAPTHPGD
SCHEMBL29929291 0.76 MAPT (0.41) RPS6KA5ALDH1A1HTTMAPTHPGD
SCHEMBL26977540 0.76 MAPT (0.41) RPS6KA5ALDH1A1HTTMAPTHPGD
SCHEMBL16140670 0.76 RPS6KA5 (0.67) FGFR1RPS6KA5HTTMKNK2MAPT
SCHEMBL31099427 0.74 FGFR1 (0.75) FGFR1ALDH1A1HTTMAPTALOX5
SCHEMBL19544869 0.73 EGFR (0.43) FGFR1ALDH1A1HTTMKNK2MAPT
SCHEMBL30671840 0.71 CYP19A1 (0.42) FGFR1ALDH1A1MAPTL3MBTL1KMT2A
SCHEMBL3300702 0.71 FGFR1 (0.70) FGFR1ALDH1A1HTTMKNK2MAPT
SCHEMBL19911376 0.71 FGFR1 (1.00) FGFR1ALDH1A1HTTMAPTHPGD
SCHEMBL19624636 0.70 MAPT (0.37) RPS6KA5ALDH1A1HTTMAPTKMT2A

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-10662174-B2 BTK inhibitor HUBEI BIO-PHARMACEUTICAL INDUSTRIAL TECHNOLOGICAL INSTITUTE, INC. (CN) 2020-05-26 — — US disclosed
EP-3246317-A1 BTK INHIBITOR Hubei Bio-Pharmaceutical Industrial Technological Institute Inc. (CN) 2017-11-22 — — EP disclosed
US-20170313683-A1 BTK INHIBITOR HUBEI BIO-PHARMACEUTICAL INDUSTRIAL TECHNOLOGICAL INSTITUTE, INC. (CN) 2017-11-02 — — US disclosed
US-20170313683-A1 BTK INHIBITOR HUBEI BIO-PHARMACEUTICAL INDUSTRIAL TECHNOLOGICAL INSTITUTE, INC. (CN) 2017-11-02 — — 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-10662174-B2 BTK inhibitor BTK, SYK, LYN FGFR1 947/4885RPS6KA5 797/4885ALDH1A1 4122/4885
US-20170313683-A1 BTK INHIBITOR BTK, SYK, LYN FGFR1 947/4885RPS6KA5 797/4885ALDH1A1 4122/4885

“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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