SCHEMBL16075862

SCHEMBL16075862

CC(=O)c1ncc(Cc2cnc(OC(F)F)c(-c3cccc(Cl)c3)c2)cn1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.38
POLB P06746 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CTSA P10619 2/20 0.38
PDE4D Q08499 1/20 0.38
PDE4B Q07343 2/20 0.38
NUDT1 P36639 3/20 0.36
KMT2A Q03164 1/20 0.35
CNR1 P21554 1/20 0.35
CNR2 P34972 2/20 0.35
MAOA P21397 2/20 0.34
MAOB P27338 2/20 0.34
MAPT P10636 1/20 0.34
ADORA1 P30542 1/20 0.34
HCRTR1 O43613 1/20 0.33
HCRTR2 O43614 1/20 0.33
POLQ O75417 1/20 0.33
MAP4K4 O95819 1/20 0.33

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
SCHEMBL16044036 0.90 PDE4D (0.40) NPC1RAB9ACTSAPDE4DPDE4B
SCHEMBL16075872 0.88 PDE4D (0.39) NPC1POLBRAB9ASMN1; SMN2CTSA
SCHEMBL16075877 0.87 CTSA (0.46) NPC1POLBRAB9ASMN1; SMN2CTSA
SCHEMBL16075858 0.87 PDE4B (0.43) CTSAPDE4DPDE4B
SCHEMBL16075879 0.86 PDE4B (0.41) CTSAPDE4DPDE4BNUDT1MAPT
SCHEMBL16044306 0.84 PDE4B (0.39) CTSAPDE4DPDE4BNUDT1HCRTR1
SCHEMBL16045869 0.84 PDE4B (0.39) CTSAPDE4DPDE4BNUDT1ADORA1
SCHEMBL16044727 0.84 DHFR (0.45) NPC1RAB9APDE4DPDE4BNUDT1
SCHEMBL16044201 0.84 PDE4B (0.41) CTSAPDE4BNUDT1
SCHEMBL16047344 0.84 PDE4B (0.49) SMN1; SMN2CTSAPDE4DPDE4B

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-9040692-B2 Substituted pyridine and pyrazine compounds as PDE4 inhibitors DART NEUROSCIENCE (CAYMAN) LTD. (KY) 2015-05-26 US disclosed
US-20140275531-A1 SUBSTITUTED PYRIDINE AND PYRAZINE COMPOUNDS AS PDE4 INHIBITORS DART NEUROSCIENCE LLC 2014-09-18 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-20140275531-A1 SUBSTITUTED PYRIDINE AND PYRAZINE COMPOUNDS AS PDE4 INHIBITORS PDE4A, PDE4B, PDE4D NPC1 4414/4885POLB 2922/4885RAB9A 1565/4885

“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.