SCHEMBL17784202

SCHEMBL17784202

CCc1nc(-c2ccc(OC)c(F)c2)nc2c1ccn2-c1cccc(OCC(=O)N2CCN(C)CC2)c1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PDE4B Q07343 9/20 0.53
▸ GAA P10253 1/20 0.47
▸ HTR1A P08908 3/20 0.42
▸ HTR1D P28221 3/20 0.42
▸ HTR1B P28222 3/20 0.42
▸ TP53 P04637 2/20 0.38
▸ ENPP2 Q13822 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ KMT2A Q03164 1/20 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
SCHEMBL16447934 0.94 PDE4B (0.54) PDE4BGAATP53
SCHEMBL17784226 0.92 PDE4B (0.52) PDE4BGAATP53MAPK1
SCHEMBL17784235 0.87 PDE4B (0.56) PDE4BGAATP53MEN1MAPK1
SCHEMBL19118056 0.86 PDE4B (0.60) PDE4B
SCHEMBL17784207 0.86 PDE4B (0.55) PDE4BMEN1KMT2A
SCHEMBL17784208 0.85 PDE4B (0.54) PDE4BMEN1KMT2A
SCHEMBL17784217 0.85 PDE4B (0.60) PDE4BMEN1KMT2A
SCHEMBL16448339 0.84 PDE4B (0.52) PDE4BMEN1KMT2A
SCHEMBL16448257 0.84 PDE4B (0.53) PDE4BMEN1KMT2A
SCHEMBL17784209 0.82 PDE4B (0.58) PDE4BTP53MEN1KMT2A

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 3 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
US-20160152624-A1 NOVEL SUBSTITUTED CONDENSED PYRIMIDINE COMPOUNDS Grünenthal GmbH (DE) 2016-06-02 — — US 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 2/4885GAA 85/4885HTR1A 2347/4885

“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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