SCHEMBL19544896

SCHEMBL19544896

CCOC(=O)c1[nH]nc(-c2ccc(-n3cc4ccccc4n3)cc2)c1C#N

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ NPSR1 Q6W5P4 2/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ KDM4E B2RXH2 10/20 0.41
▸ HPGD P15428 7/20 0.41
▸ ALDH1A1 P00352 6/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ CA12 O43570 3/20 0.41
▸ CA9 Q16790 3/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ RECQL P46063 1/20 0.41
▸ NPC1 O15118 3/20 0.40
▸ MEN1 O00255 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ RAB9A P51151 2/20 0.39
▸ HSD17B10 Q99714 2/20 0.39
▸ CDC25B P30305 1/20 0.39
▸ DUSP3 P51452 1/20 0.39
▸ ALOX15 P16050 1/20 0.38
▸ MAPT P10636 1/20 0.38

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
SCHEMBL19544635 0.86 NPSR1 (0.44) NPSR1MAPK1KDM4EHPGDALDH1A1
SCHEMBL19545219 0.77 MAPT (0.47) KDM4EHPGDALDH1A1SMN1; SMN2KMT2A
SCHEMBL19544473 0.77 SCN9A (0.51) NPSR1KDM4EHPGDALDH1A1SMN1; SMN2
SCHEMBL19544634 0.76 ALPL (0.57) KDM4EHPGDALDH1A1SMN1; SMN2CA12
SCHEMBL19544895 0.73 KDM4E (0.44) KDM4EHPGDALDH1A1SMN1; SMN2KMT2A
SCHEMBL19544636 0.73 KDM4E (0.39) NPSR1KDM4EHPGDALDH1A1SMN1; SMN2
SCHEMBL19544300 0.72 HPGD (0.44) MAPK1KDM4EHPGDALDH1A1SMN1; SMN2
SCHEMBL19544753 0.70 HPGDS (0.46) NPSR1KDM4EHPGDALDH1A1SMN1; SMN2
SCHEMBL19533617 0.69 CA12 (0.35) NPSR1MAPK1KDM4EHPGDALDH1A1
SCHEMBL1456158 0.69 KMT2A (0.53) NPSR1MAPK1KDM4EHPGDALDH1A1

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
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

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 NPSR1 4251/4885MAPK1 331/4885KDM4E 898/4885
US-20170313683-A1 BTK INHIBITOR BTK, SYK, LYN NPSR1 4251/4885MAPK1 331/4885KDM4E 898/4885

“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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