SCHEMBL6417753

SCHEMBL6417753

O=C1NC(=O)C(c2cc3ccccc3[nH]2)=C1Cl

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PRKD3 O94806 5/20 0.56
▸ PRKCG P05129 5/20 0.56
▸ PRKCB P05771 5/20 0.56
▸ PRKCA P17252 5/20 0.56
▸ PRKCH P24723 5/20 0.56
▸ PRKCI P41743 5/20 0.56
▸ PRKCE Q02156 5/20 0.56
▸ PRKCQ Q04759 5/20 0.56
▸ PRKCZ Q05513 5/20 0.56
▸ PRKCD Q05655 5/20 0.56
▸ PRKD1 Q15139 5/20 0.56
▸ PRKACA P17612 2/20 0.56
▸ PRKACG P22612 2/20 0.56
▸ PRKACB P22694 2/20 0.56
▸ RAB9A P51151 4/20 0.50
▸ NPC1 O15118 4/20 0.50
▸ KDM4E B2RXH2 3/20 0.50
▸ MAPT P10636 3/20 0.50
▸ MEN1 O00255 3/20 0.50
▸ KMT2A Q03164 3/20 0.50

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
SCHEMBL29415921 0.88 PRKD3 (0.62) PRKD3PRKCGPRKCBPRKCAPRKCH
SCHEMBL78989 0.88 PRKD3 (0.62) PRKD3PRKCGPRKCBPRKCAPRKCH
SCHEMBL3959789 0.86 PRKD3 (0.61) PRKD3PRKCGPRKCBPRKCAPRKCH
SCHEMBL31615194 0.81 NPC1 (0.61) PRKD3PRKCGPRKCBPRKCAPRKCH
SCHEMBL3148480 0.81 NPC1 (0.61) PRKD3PRKCGPRKCBPRKCAPRKCH
SCHEMBL3908537 0.81 PRKD3 (0.59) PRKD3PRKCGPRKCBPRKCAPRKCH
SCHEMBL12424814 0.78 KDR (0.54) PRKD3PRKCGPRKCBPRKCAPRKCH
SCHEMBL15758300 0.76 PRKCB (0.64) PRKD3PRKCGPRKCBPRKCAPRKCH
SCHEMBL2986726 0.75 PRKD3 (0.53) PRKD3PRKCGPRKCBPRKCAPRKCH
SCHEMBL8086286 0.74 KDR (0.58) PRKD3PRKCGPRKCBPRKCAPRKCH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1345946-B1 MACROHETEROCYLIC COMPOUNDS USEFUL AS KINASE INHIBITORS ORTHO MCNEIL PHARM INC (US) 2005-08-10 — — EP disclosed
US-6828327-B2 For therapy of chronic pain, neuropathic pain, epilepsy, chronic neurodegenerative conditions, dementia, Alzheimer's disease, schizophrenia, manic depression, neurotraumatic, cognitive decline and ischemia-related diseases ORTHO-MCNEIL PHARMACEUTICAL, INC. 2004-12-07 — — US disclosed
WO-2004083202-A1 A PROCESS FOR THE PREPARATION OF INDOLYMALEIMIDES SUVEN LIFE SCIENCES LIMITED (IN) 2004-09-30 — — WO disclosed
EP-1345946-A1 MACROHETEROCYLIC COMPOUNDS USEFUL AS KINASE INHIBITORS Ortho-McNeil Pharmaceutical, Inc. (US) 2003-09-24 — — EP disclosed
US-20030078280-A1 Macroheterocylic compounds useful as kinase inhibitors ORTHO-MCNEIL PHARMACEUTICAL, INC. 2003-04-24 — — US disclosed
WO-2002046197-A1 MACROHETEROCYLIC COMPOUNDS USEFUL AS KINASE INHIBITORS ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2002-06-13 — — 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-20030078280-A1 Macroheterocylic compounds useful as kinase inhibitors PRKCH, MAP3K6, MAP3K2 PRKD3 49/4885PRKCG 58/4885PRKCB 16/4885

“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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