SCHEMBL16448100

SCHEMBL16448100

CCc1nc(-c2cccnc2OC)nc2c1ccn2-c1cccc(OCC(=O)N(C)C)c1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PDE4B Q07343 3/20 0.58
▸ FFAR4 Q5NUL3 1/20 0.34
▸ PTK2 Q05397 2/20 0.34
▸ JAK2 O60674 1/20 0.34
▸ JAK3 P52333 1/20 0.34
▸ MAT2A P31153 1/20 0.34
▸ RAB9A P51151 2/20 0.33
▸ HPGD P15428 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ PDE2A O00408 1/20 0.33
▸ PDE10A Q9Y233 1/20 0.33
▸ PDE4A P27815 1/20 0.33
▸ KCNH2 Q12809 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ PPARG P37231 1/20 0.33
▸ THRB P10828 1/20 0.33
▸ KEAP1 Q14145 1/20 0.33
▸ NFE2L2 Q16236 1/20 0.33
▸ SMN1; SMN2 Q16637 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
SCHEMBL17784221 0.85 PDE4B (0.57) PDE4BMAT2AKEAP1NFE2L2SMN1; SMN2
SCHEMBL19118428 0.84 PDE4B (0.55) PDE4BRAB9AHPGDKMT2ANPC1
SCHEMBL17784213 0.83 PDE4B (0.57) PDE4BPDE4AKCNH2KEAP1NFE2L2
SCHEMBL19119085 0.83 PDE4B (0.57) PDE4BMAT2ARAB9AHPGDNPC1
SCHEMBL19119122 0.82 PDE4B (0.51) PDE4BMAT2AHPGDSMN1; SMN2
SCHEMBL17784227 0.82 PDE4B (0.54) PDE4BRAB9APPARG
SCHEMBL16446627 0.81 PDE4B (0.50) PDE4BMAT2ARAB9AHPGDNPC1
SCHEMBL19119081 0.80 PDE4B (0.54) PDE4BMAT2ARAB9AKMT2A
SCHEMBL19118056 0.80 PDE4B (0.60) PDE4B
SCHEMBL19119137 0.79 PDE4B (0.49) PDE4BPDE4AKCNH2

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-3030565-B1 NOVEL SUBSTITUTED CONDENSED PYRIMIDINE COMPOUNDS GRUENENTHAL GMBH (DE) 2017-07-19 — — EP disclosed
US-9688683-B2 Substituted condensed pyrimidine compounds Grünenthal GmbH (DE) 2017-06-27 — — US disclosed
EP-3030565-A1 NOVEL SUBSTITUTED CONDENSED PYRIMIDINE COMPOUNDS Grünenthal GmbH (DE) 2016-06-15 — — EP disclosed
US-20160152624-A1 NOVEL SUBSTITUTED CONDENSED PYRIMIDINE COMPOUNDS Grünenthal GmbH (DE) 2016-06-02 — — US disclosed
WO-2015018534-A1 NOVEL SUBSTITUTED CONDENSED PYRIMIDINE COMPOUNDS Grünenthal GmbH (DE) 2015-02-12 — — 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-20160152624-A1 NOVEL SUBSTITUTED CONDENSED PYRIMIDINE COMPOUNDS PDE4A, PDE4B, TYMP PDE4B 2/4885FFAR4 943/4885PTK2 4064/4885

“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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