SCHEMBL16445876

SCHEMBL16445876

COC(=O)c1ccc(-n2ccc3c(C)nc(-c4ccc(OC)c(Cl)c4)nc32)cc1

nearest known ligand 0.68

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PDE4B Q07343 4/20 0.68
▸ PTK2 Q05397 1/20 0.44
▸ MAPT P10636 4/20 0.42
▸ PIP4K2A P48426 2/20 0.41
▸ PTGS2 P35354 4/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ TP53 P04637 2/20 0.39
▸ GLA P06280 1/20 0.39
▸ PDE4D Q08499 1/20 0.39
▸ PTGS1 P23219 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ NLRP3 Q96P20 1/20 0.38
▸ THRB P10828 1/20 0.37

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
SCHEMBL16446938 0.91 PDE4B (0.82) PDE4BPTK2PIP4K2APTGS2PTGS1
SCHEMBL16446612 0.90 PDE4B (0.84) PDE4BPTK2MAPTPIP4K2APTGS2
SCHEMBL16446770 0.88 PDE4B (0.59) PDE4BPTK2MAPTPTGS2PDE4D
SCHEMBL16446217 0.86 PDE4B (0.65) PDE4BMAPTPIP4K2APTGS2PDE4D
SCHEMBL16446508 0.83 PDE4B (0.60) PDE4BMAPTPIP4K2APTGS2PDE4D
SCHEMBL16446446 0.83 PDE4B (0.50) PDE4BPTK2MAPTNPC1RAB9A
SCHEMBL16446337 0.81 PDE4B (1.00) PDE4BPTK2PIP4K2APTGS2
SCHEMBL16446537 0.80 ALDH1A1 (0.43) PDE4BPTK2MAPTSMN1; SMN2
SCHEMBL16447006 0.79 PDE4B (0.64) PDE4BPTK2PTGS2PTGS1RAB9A
SCHEMBL16447005 0.79 PDE4B (0.64) PDE4BPTK2PTGS2PTGS1RAB9A

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 2/4885PTK2 4064/4885MAPT 3104/4885

“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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