SCHEMBL19533517

SCHEMBL19533517

O=[N+]([O-])c1cccc2c1cnn2-c1nc(Cl)ncc1F

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PIN1 Q13526 10/20 0.42
▸ RPS6KA5 O75582 1/20 0.41
▸ MAPT P10636 1/20 0.38
▸ TDP1 Q9NUW8 3/20 0.36
▸ ALDH1A1 P00352 3/20 0.36
▸ MITF O75030 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35

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
SCHEMBL19533518 0.79 MKNK1 (0.49) RPS6KA5MAPTCYP1A2SMN1; SMN2
SCHEMBL19533519 0.75 GLS (0.38) PIN1RPS6KA5MAPTALDH1A1LMNA
SCHEMBL4106108 0.74 ALDH1A1 (0.54) MAPTTDP1ALDH1A1MITFLMNA
SCHEMBL4573040 0.73 CCR1 (0.45) MAPTTDP1ALDH1A1MITFLMNA
SCHEMBL22557590 0.73 RPS6KA5 (0.47) PIN1RPS6KA5MAPTTDP1CYP1A2
SCHEMBL30753606 0.73 RPS6KA5 (0.47) PIN1RPS6KA5MAPTTDP1CYP1A2
SCHEMBL305477 0.72 FGFR1 (0.47) MAPTTDP1ALDH1A1MITFLMNA
SCHEMBL29687237 0.70 TDP1 (0.50) MAPTTDP1ALDH1A1MITFLMNA
SCHEMBL4555832 0.70 TDP1 (0.50) MAPTTDP1ALDH1A1MITFLMNA
SCHEMBL27758503 0.70 TDP1 (0.50) MAPTTDP1ALDH1A1MITFLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3246317-B1 BTK INHIBITOR HUBEI BIO PHARMACEUTICAL INDUSTRIAL TECH INSTITUTE INC (CN) 2023-02-22 — — EP disclosed
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 PIN1 623/4885RPS6KA5 797/4885MAPT 418/4885
US-20170313683-A1 BTK INHIBITOR BTK, SYK, LYN PIN1 623/4885RPS6KA5 797/4885MAPT 418/4885

“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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