SCHEMBL16448282

SCHEMBL16448282

CCc1nc(-c2ccc(OC)c(F)c2)nc2c1ccn2-c1ccc(C(=O)O)cc1

nearest known ligand 0.64

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PDE4B Q07343 8/20 0.64
▸ LMNA P02545 1/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ HTT P42858 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ PDE5A O76074 3/20 0.41
▸ PTK2 Q05397 1/20 0.41
▸ PTGER4 P35408 1/20 0.39
▸ PTGS1 P23219 2/20 0.39
▸ PTGS2 P35354 2/20 0.39
▸ JAK2 O60674 1/20 0.38
▸ DHFR P00374 2/20 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
SCHEMBL16446524 0.90 PDE4B (0.79) PDE4BPTGS1PTGS2
SCHEMBL16447006 0.87 PDE4B (0.64) PDE4BLMNAMAPK1HTTRAB9A
SCHEMBL16447005 0.87 PDE4B (0.64) PDE4BLMNAMAPK1HTTRAB9A
SCHEMBL17784235 0.81 PDE4B (0.56) PDE4BLMNAMAPK1HTT
SCHEMBL19118056 0.80 PDE4B (0.60) PDE4B
SCHEMBL17784210 0.80 PDE4B (0.50) PDE4B
SCHEMBL17784207 0.80 PDE4B (0.55) PDE4BPTK2
SCHEMBL17784208 0.79 PDE4B (0.54) PDE4BRAB9APTK2
SCHEMBL16446770 0.79 PDE4B (0.59) PDE4BLMNAMAPK1HTTRAB9A
SCHEMBL17784216 0.78 PDE4B (1.00) PDE4BRAB9APTGS1PTGS2

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 2/4885LMNA 2843/4885MAPK1 2807/4885

“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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