SCHEMBL16446637

SCHEMBL16446637

Cc1nc(-c2ccc(F)c(F)c2)nc2c1ccn2-c1ccc(C(=O)O)cc1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PDE4B Q07343 5/20 0.53
▸ RXRA P19793 2/20 0.49
▸ THRB P10828 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ PTGS2 P35354 1/20 0.36
▸ PTK2 Q05397 1/20 0.36
▸ ADH5 P11766 2/20 0.35
▸ CSNK2A1 P68400 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ NR4A1 P22736 1/20 0.35
▸ NR4A2 P43354 1/20 0.35
▸ KMO O15229 1/20 0.35
▸ ERN1 O75460 1/20 0.35

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
SCHEMBL16447005 0.89 PDE4B (0.64) PDE4BRXRALMNAPTGS2PTK2
SCHEMBL16447006 0.89 PDE4B (0.64) PDE4BRXRALMNAPTGS2PTK2
SCHEMBL16448282 0.76 PDE4B (0.64) PDE4BLMNAPTGS2PTK2
SCHEMBL16446575 0.73 PDE4B (0.48) PDE4BRXRAKDM4ELMNAHSD17B10
SCHEMBL16445876 0.71 PDE4B (0.68) PDE4BTHRBPTGS2PTK2MAPT
SCHEMBL16446337 0.70 PDE4B (1.00) PDE4BPTGS2PTK2KMO
SCHEMBL16446217 0.69 PDE4B (0.65) PDE4BLMNAPTGS2MAPTKMO
SCHEMBL2247505 0.67 KDM4E (0.72) RXRAKDM4ELMNAHSD17B10KMO
SCHEMBL18764432 0.66 RXRA (1.00) PDE4BRXRAKDM4EHSD17B10CSNK2A1
SCHEMBL182140 0.63 ADH5 (0.48) RXRATHRBKDM4ELMNAHSD17B10

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 2/4885RXRA 1887/4885THRB 4532/4885

“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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