SCHEMBL84379

SCHEMBL84379

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

nearest known ligand 0.67

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AURKA O14965 10/20 0.67
IDH2 P48735 3/20 0.58
KDM4E B2RXH2 1/20 0.55
LMNA P02545 1/20 0.53
MAPT P10636 1/20 0.53
MAPK1 P28482 1/20 0.53
FLT1 P17948 1/20 0.52
FLT4 P35916 1/20 0.52
KDR P35968 1/20 0.52
CLK1 P49759 1/20 0.52
CLK2 P49760 1/20 0.52
DYRK1A Q13627 1/20 0.52
CLK4 Q9HAZ1 1/20 0.52
DYRK1B Q9Y463 1/20 0.52
MAPK8 P45983 1/20 0.52
KIF11 P52732 1/20 0.51

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
SCHEMBL13524817 0.89 AURKA (0.63) AURKAIDH2KDM4ELMNAMAPT
SCHEMBL84402 0.83 KCNH2 (0.54) AURKALMNAMAPTMAPK1KDR
SCHEMBL30847372 0.82 AURKA (0.72) AURKAIDH2KDM4ELMNAMAPT
SCHEMBL14088796 0.82 AURKA (0.72) AURKAIDH2KDM4ELMNAMAPT
SCHEMBL84004 0.82 CDK2 (0.54) AURKAKDRCLK2DYRK1ACLK4
SCHEMBL27110454 0.82 AURKA (0.72) AURKAIDH2KDM4ELMNAMAPT
SCHEMBL84027 0.81 IGF1R (0.59)
SCHEMBL15181344 0.81 PLK1 (0.49) AURKAMAPTMAPK1FLT1FLT4
SCHEMBL31501743 0.80 AURKA (0.72) AURKAIDH2KDM4ELMNAMAPT
SCHEMBL6663767 0.80 AURKA (0.72) AURKAIDH2KDM4ELMNAMAPT

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 AURKA 145/4885IDH2 901/4885KDM4E 3041/4885
US-20130210818-A1 Novel Heterocyclic Compounds and Uses Thereof BRAF, RAF1, HRAS AURKA 514/4885IDH2 901/4885KDM4E 2526/4885

“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.