SCHEMBL66437

SCHEMBL66437

O=C1COC(c2ccc(F)cc2)=N1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 6/20 0.42
PTGS2 P35354 3/20 0.40
SMN1; SMN2 Q16637 1/20 0.38
USP1 O94782 1/20 0.37
WDR48 Q8TAF3 1/20 0.37
PDE3B Q13370 2/20 0.37
PDE3A Q14432 2/20 0.37
NOTUM Q6P988 1/20 0.37
MAOB P27338 2/20 0.37
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
MAPT P10636 1/20 0.36
HTT P42858 1/20 0.36
LMNA P02545 1/20 0.36
GAA P10253 1/20 0.36
MAPK14 Q16539 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
SCHEMBL6365734 0.81 MAOB (0.43) PTGS1PTGS2SMN1; SMN2MAOBNPC1
SCHEMBL84708 0.80 KMT2A (0.44) PTGS1PTGS2SMN1; SMN2USP1WDR48
SCHEMBL22304501 0.73 MAOB (0.63) MAOB
SCHEMBL9322971 0.72 KIF11 (0.46) SMN1; SMN2MAPTHTTLMNA
SCHEMBL22304755 0.72 MAOB (0.61) MAOB
SCHEMBL28932271 0.69 NPC1 (0.50) PTGS1SMN1; SMN2PDE3BPDE3ANOTUM
SCHEMBL22818975 0.66 RAB9A (0.45) PTGS1MAOBNPC1RAB9AMAPT
SCHEMBL29839923 0.65 NPC1 (0.40) PTGS1PTGS2SMN1; SMN2USP1WDR48
SCHEMBL17512909 0.65 USP1 (0.37) PTGS1SMN1; SMN2USP1WDR48NOTUM
SCHEMBL10630404 0.65 KMT2A (0.50) PTGS1PTGS2SMN1; SMN2MAOBNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8865732-B2 Heterocyclic compounds and uses thereof NOVARTIS AG (CH) 2014-10-21 US disclosed
US-20130210818-A1 Novel Heterocyclic Compounds and Uses Thereof NOVARTIS AG (CH) 2013-08-15 US disclosed
US-8129394-B2 Heteroaryl-substituted imidazole compounds and uses thereof NOVARTIS AG (CH) 2012-03-06 US disclosed
EP-2274300-A2 NOVEL HETEROCYCLIC COMPOUNDS AND USES THEROF Novartis AG (CH) 2011-01-19 EP disclosed
US-20100003246-A1 Novel heterocyclic compounds and uses therof NOVARTIS AG (CH) 2010-01-07 US disclosed
WO-2009115572-A2 NOVEL HETEROCYCLIC COMPOUNDS AND USES THEROF NOVARTIS AG (CH) 2009-09-24 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 (2 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-20100003246-A1 Novel heterocyclic compounds and uses therof BRAF, ARAF, KRAS PTGS1 4386/4885PTGS2 4280/4885SMN1; SMN2 3581/4885
US-20130210818-A1 Novel Heterocyclic Compounds and Uses Thereof BRAF, RAF1, HRAS PTGS1 3392/4885PTGS2 3511/4885SMN1; SMN2 3793/4885

“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.