SCHEMBL15615228

SCHEMBL15615228

CC(C)c1nn(-c2ccc(Oc3cc(F)cc(OCc4ccccc4)c3)cc2)c(C#N)c1N

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PTGS1 P23219 2/20 0.40
▸ PTGS2 P35354 2/20 0.40
▸ MDM2 Q00987 3/20 0.38
▸ BCL2 P10415 1/20 0.38
▸ MCL1 Q07820 1/20 0.38
▸ AS3MT Q9HBK9 2/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ MAOB P27338 3/20 0.35
▸ BTK Q06187 2/20 0.35
▸ NSD2 O96028 1/20 0.34
▸ FFAR1 O14842 1/20 0.34
▸ PIM1 P11309 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ PKM P14618 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL15615238 0.90 BTK (0.43) PTGS1PTGS2KDM4EALDH1A1BTK
SCHEMBL15615212 0.88 MAOB (0.46) MDM2BCL2MCL1AS3MTKDM4E
SCHEMBL18900802 0.84 KDM4E (0.34) KDM4EALDH1A1BTKFFAR1
SCHEMBL15615093 0.84 PTGS1 (0.33) PTGS1PTGS2KDM4EALDH1A1BTK
SCHEMBL15615231 0.81 AS3MT (0.41) MDM2BCL2MCL1AS3MTMAOB
SCHEMBL15615106 0.80 BTK (0.42) PTGS1PTGS2MDM2BCL2MCL1
SCHEMBL15615227 0.79 BTK (0.39) BTK
SCHEMBL15614895 0.73 BTK (0.46) PTGS1PTGS2BTK
SCHEMBL16749825 0.72 BTK (0.41) BTK
SCHEMBL15615087 0.72 BTK (0.39) PTGS1PTGS2BTK

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 PTGS1 1230/4885PTGS2 2612/4885MDM2 3745/4885

“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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