SCHEMBL14844945

SCHEMBL14844945

Fc1ccc(-c2cc3n(n2)CCC3)cc1Cl

nearest known ligand 0.65

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NISCH Q9Y2I1 1/20 0.38
PDE4A P27815 1/20 0.38
PDE4B Q07343 1/20 0.38
PDE4C Q08493 1/20 0.38
PDE4D Q08499 1/20 0.38
KMO O15229 1/20 0.38
PTGS2 P35354 2/20 0.37
NPC1 O15118 1/20 0.37
LMNA P02545 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
PTGS1 P23219 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
SCHEMBL14844863 0.87 THRB (0.45) RAB9A
SCHEMBL2524970 0.83 RAB9A (0.51) NPC1LMNARAB9ASMN1; SMN2
SCHEMBL2520258 0.80 THRB (0.43) LMNA
SCHEMBL2527289 0.77 CHRNB4 (0.42) LMNA
SCHEMBL23778207 0.75 GRM5 (0.48) KMO
SCHEMBL2524849 0.75 KDM4E (0.42) LMNA
SCHEMBL2525007 0.74 THRB (0.43) NPC1LMNARAB9ASMN1; SMN2
SCHEMBL2522518 0.73 GRM5 (0.51)
SCHEMBL16708794 0.72 CHRNB4 (0.44) LMNA
SCHEMBL14844860 0.71 THRB (0.43) NISCHPDE4APDE4BPDE4CPDE4D

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-2763993-B1 HETEROCYCLYLPYRI(MI)DINYLPYRAZOLE BAYER IP GMBH (DE) 2017-04-19 EP disclosed
US-9314026-B2 Heterocyclylpyri(mi)dinylpyrazole BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-04-19 US disclosed
US-20140364456-A1 HETEROCYCLYLPYRI(MI)DINYLPYRAZOLE BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-12-11 US disclosed
EP-2763993-A1 HETEROCYCLYLPYRI(MI)DINYLPYRAZOLE Bayer Intellectual Property GmbH (DE) 2014-08-13 EP disclosed
WO-2013050434-A1 HETEROCYCLYLPYRI(MI)DINYLPYRAZOLE BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-04-11 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-20140364456-A1 HETEROCYCLYLPYRI(MI)DINYLPYRAZOLE H1-0, NQO2, CCNI NISCH 858/4885PDE4A 1956/4885PDE4B 1252/4885

“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.