SCHEMBL84530

SCHEMBL84530

CC(C)(C)c1ccc(N)nc1F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FEN1 P39748 12/20 0.38
ALOX5AP P20292 11/20 0.38
NOS2 P35228 3/20 0.37
NOS3 P29474 2/20 0.37
NOS1 P29475 1/20 0.37
BACE1 P56817 4/20 0.35
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
KMT2A Q03164 1/20 0.33
NCK1 P16333 1/20 0.31
NCF1 P14598 1/20 0.31
GABRP O00591 1/20 0.31
GABRD O14764 1/20 0.31
GABRA1 P14867 1/20 0.31
GABRB1 P18505 1/20 0.31
GABRG2 P18507 1/20 0.31
GABRB3 P28472 1/20 0.31
GABRA5 P31644 1/20 0.31
GABRA3 P34903 1/20 0.31
GABRA2 P47869 1/20 0.31

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
SCHEMBL17298786 0.83 NOS3 (0.34) FEN1ALOX5APNOS2NOS3NOS1
SCHEMBL11272404 0.80 KDM4E (0.46) NOS2NOS3NOS1BACE1KDM4E
SCHEMBL21718901 0.78 CYP3A4 (0.30) FEN1ALOX5AP
SCHEMBL15218365 0.77 ALOX5AP (0.32) FEN1ALOX5APALDH1A1
SCHEMBL24506834 0.77 NOS2 (0.39) FEN1ALOX5APNOS2NOS3NOS1
SCHEMBL22521425 0.76 MCHR1 (0.40) FEN1ALOX5APBACE1NCK1NCF1
SCHEMBL12019749 0.76 NOS2 (0.54) FEN1ALOX5APNOS2NOS3NOS1
SCHEMBL26778147 0.76 ALOX5AP (0.31) FEN1ALOX5AP
SCHEMBL9906403 0.76 CCR1 (0.37) FEN1ALOX5APGABRA1GABRB2
SCHEMBL16476790 0.76 NOS2 (0.38) FEN1ALOX5APNOS2NOS3NOS1

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 FEN1 1154/4885ALOX5AP 3868/4885NOS2 4753/4885
US-20130210818-A1 Novel Heterocyclic Compounds and Uses Thereof BRAF, RAF1, HRAS FEN1 1397/4885ALOX5AP 3764/4885NOS2 4217/4885

“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.