SCHEMBL17784235

SCHEMBL17784235

CCc1nc(-c2ccc(OC)c(F)c2)nc2c1ccn2-c1cccc(OCC(N)=O)c1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PDE4B Q07343 10/20 0.56
▸ ACACA Q13085 1/20 0.38
▸ PDE10A Q9Y233 1/20 0.38
▸ TSHR P16473 2/20 0.38
▸ KMT2A Q03164 3/20 0.37
▸ MEN1 O00255 2/20 0.37
▸ GGPS1 O95749 1/20 0.36
▸ MAPT P10636 3/20 0.36
▸ LMNA P02545 2/20 0.36
▸ USP2 O75604 1/20 0.36
▸ ESR1 P03372 1/20 0.36
▸ TP53 P04637 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ PFKFB3 Q16875 1/20 0.36
▸ GAA P10253 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
SCHEMBL19118056 0.91 PDE4B (0.60) PDE4BTSHRGGPS1MAPT
SCHEMBL17784207 0.90 PDE4B (0.55) PDE4BTSHRKMT2AMEN1GGPS1
SCHEMBL16448257 0.90 PDE4B (0.53) PDE4BTSHRKMT2AMEN1GGPS1
SCHEMBL17784208 0.90 PDE4B (0.54) PDE4BTSHRKMT2AMEN1GGPS1
SCHEMBL16447934 0.88 PDE4B (0.54) PDE4BTP53GAA
SCHEMBL16448339 0.88 PDE4B (0.52) PDE4BTSHRKMT2AMEN1GGPS1
SCHEMBL17784202 0.87 PDE4B (0.53) PDE4BKMT2AMEN1TP53MAPK1
SCHEMBL17784217 0.86 PDE4B (0.60) PDE4BKMT2AMEN1GGPS1
SCHEMBL17784226 0.86 PDE4B (0.52) PDE4BMAPTLMNATP53MAPK1
SCHEMBL17784209 0.85 PDE4B (0.58) PDE4BTSHRKMT2AMEN1MAPT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 2/4885ACACA 1042/4885PDE10A 23/4885

“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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