SCHEMBL91451

SCHEMBL91451

Cc1ccnc(Nc2cccc(F)c2)n1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.67
POLB P06746 2/20 0.67
NPC1 O15118 2/20 0.67
RAB9A P51151 2/20 0.67
KMT2A Q03164 1/20 0.67
CDK2 P24941 2/20 0.61
CDK4 P11802 1/20 0.61
DAPK3 O43293 1/20 0.52
JAK2 O60674 1/20 0.52
PRKD3 O94806 1/20 0.52
PIM1 P11309 1/20 0.52
PRKACA P17612 1/20 0.52
FLT3 P36888 1/20 0.52
MAPK8 P45983 1/20 0.52
CSNK1A1 P48729 1/20 0.52
CDK8 P49336 1/20 0.52
CLK2 P49760 1/20 0.52
GSK3A P49840 1/20 0.52
GSK3B P49841 1/20 0.52
CDK9 P50750 1/20 0.52

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
SCHEMBL14088797 0.84 PIK3CA (0.62) KMT2ACDK2DAPK3JAK2PRKD3
SCHEMBL15185772 0.83 PLK1 (0.52) SMN1; SMN2POLBNPC1RAB9AKMT2A
SCHEMBL3951217 0.81 LMNA (0.53) SMN1; SMN2POLBNPC1RAB9AKMT2A
SCHEMBL24507552 0.81 ABL1 (0.62) SMN1; SMN2POLBNPC1RAB9AKMT2A
SCHEMBL27111928 0.81 CDK2 (0.55) SMN1; SMN2POLBNPC1RAB9AKMT2A
SCHEMBL30847380 0.81 CDK2 (0.55) SMN1; SMN2POLBNPC1RAB9AKMT2A
SCHEMBL14088796 0.81 AURKA (0.72) CDK2CDK4MAPK8CLK2DYRK1A
SCHEMBL20004013 0.81 PIK3CG (0.56) SMN1; SMN2POLBNPC1RAB9AKMT2A
SCHEMBL84004 0.81 CDK2 (0.54) SMN1; SMN2POLBNPC1RAB9AKMT2A
SCHEMBL14088798 0.80 SYK (0.60) SMN1; SMN2POLBNPC1RAB9AKMT2A

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 4 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
US-20100003246-A1 Novel heterocyclic compounds and uses therof NOVARTIS AG (CH) 2010-01-07 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 (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 SMN1; SMN2 3581/4885POLB 2484/4885NPC1 4113/4885
US-20130210818-A1 Novel Heterocyclic Compounds and Uses Thereof BRAF, RAF1, HRAS SMN1; SMN2 3793/4885POLB 2078/4885NPC1 3321/4885

“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.