SCHEMBL15615231

SCHEMBL15615231

CC(C)c1nn(-c2ccc(OCc3ccccc3)cc2F)c(C#N)c1N

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ AS3MT Q9HBK9 2/20 0.41
▸ MAOB P27338 4/20 0.40
▸ NSD2 O96028 1/20 0.39
▸ HRH3 Q9Y5N1 2/20 0.36
▸ ALOX5 P09917 1/20 0.36
▸ SRC P12931 2/20 0.36
▸ ABL1 P00519 1/20 0.36
▸ IMPDH2 P12268 1/20 0.35
▸ SRD5A1 P18405 1/20 0.35
▸ PIM1 P11309 1/20 0.35
▸ BCL2 P10415 1/20 0.35
▸ MDM2 Q00987 1/20 0.35
▸ MCL1 Q07820 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
SCHEMBL15615212 0.83 MAOB (0.46) AS3MTMAOBALOX5BCL2MDM2
SCHEMBL15615227 0.81 BTK (0.39) —
SCHEMBL15615228 0.81 PTGS1 (0.40) AS3MTMAOBNSD2PIM1BCL2
SCHEMBL15615238 0.70 BTK (0.43) —
SCHEMBL4715703 0.69 MAPK14 (0.45) MAOBALOX5
SCHEMBL31710188 0.69 MAPK14 (0.45) MAOBALOX5
SCHEMBL15472489 0.67 ALOX5 (0.56) MAOBHRH3ALOX5
SCHEMBL427002 0.67 MAOB (0.74) AS3MTMAOBNSD2ALOX5IMPDH2
SCHEMBL18900802 0.66 KDM4E (0.34) —
SCHEMBL16749817 0.65 MAOB (0.47) AS3MTMAOBNSD2ALOX5

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
US-9795608-B2 Protein kinase inhibitors PHARMASCIENCE, INC. (CA) 2017-10-24 — — US disclosed
EP-2870158-B1 1-[4-(3-PHENOXY)-PHENYL]-1H-PYRAZOLO[4,3-D]PYRIMIDIN-7-YL-AMINE DERIVATIVES AS BRUTON'S TYROSINE KINASE (BTK) INHIBITORS FOR THE TREATMENT OF E.G. PROLIFERATIVE DISEASES PHARMASCIENCE INC (CA) 2017-05-31 — — EP disclosed
US-9447102-B2 Protein kinase inhibitors PHARMASCIENCE, INC. (CA) 2016-09-20 — — US disclosed
US-20150344478-A1 PROTEIN KINASE INHIBITORS GB005, INC. 2015-12-03 — — US disclosed
WO-2014005217-A1 PROTEIN KINASE INHIBITORS PHARMASCIENCE INC. (CA) 2014-01-09 — — 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-20150344478-A1 PROTEIN KINASE INHIBITORS TEC, BTK, LCK AS3MT 4660/4885MAOB 3257/4885NSD2 3224/4885

“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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