SCHEMBL84027

SCHEMBL84027

CC(C)c1ccnc(Nc2cccc(OC(F)(F)F)c2)n1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 2/20 0.59
SYK P43405 3/20 0.57
ABL1 P00519 3/20 0.54
BCR P11274 3/20 0.54
PRKCA P17252 3/20 0.54
CTSC P53634 1/20 0.53
CDK2 P24941 1/20 0.51
GSK3B P49841 1/20 0.51
EGFR P00533 6/20 0.50
BRAF P15056 1/20 0.48
PIK3CA P42336 2/20 0.47
PIK3CG P48736 2/20 0.47
ITK Q08881 3/20 0.47
SRC P12931 1/20 0.47
PRKACA P17612 1/20 0.47
PRKACG P22612 1/20 0.47
PRKACB P22694 1/20 0.47
PRKCD Q05655 1/20 0.47
PIK3CB P42338 1/20 0.46
BTK Q06187 1/20 0.45

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
SCHEMBL84484 0.85 EGFR (0.69) IGF1RSYKCDK2GSK3BEGFR
SCHEMBL15185760 0.84 IGF1R (0.62) IGF1RSYKABL1BCRPRKCA
SCHEMBL84379 0.81 AURKA (0.67)
SCHEMBL84004 0.79 CDK2 (0.54) SYKCDK2GSK3BEGFRPIK3CA
SCHEMBL16127509 0.78 IGF1R (0.72) IGF1RSYKCTSCCDK2EGFR
SCHEMBL15181344 0.78 PLK1 (0.49) SYKABL1BCRCDK2GSK3B
SCHEMBL15181351 0.77 CDK5 (0.51) SYKABL1CDK2GSK3BEGFR
SCHEMBL8837875 0.76 ABL1 (0.78) IGF1RSYKABL1BCRPRKCA
SCHEMBL16127518 0.75 IGF1R (0.69) IGF1RSYKABL1BCRPRKCA
SCHEMBL1704 0.75 ABL1 (0.65) IGF1RSYKABL1BCRPRKCA

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-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 (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-20100003246-A1 Novel heterocyclic compounds and uses therof BRAF, ARAF, KRAS IGF1R 1812/4885SYK 1136/4885ABL1 84/4885

“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.