SCHEMBL14088796

SCHEMBL14088796

Cc1ccnc(Nc2cccc(C(F)(F)F)c2)n1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 7/20 0.72
IDH2 P48735 3/20 0.62
KDM4E B2RXH2 1/20 0.59
CDK4 P11802 1/20 0.58
CDK2 P24941 1/20 0.58
FLT1 P17948 1/20 0.58
FLT4 P35916 1/20 0.58
KDR P35968 1/20 0.58
THRB P10828 1/20 0.57
LMNA P02545 1/20 0.57
MAPT P10636 1/20 0.57
MAPK1 P28482 1/20 0.57
APP P05067 1/20 0.55
KIF11 P52732 1/20 0.55
CLK1 P49759 1/20 0.55
CLK2 P49760 1/20 0.55
DYRK1A Q13627 1/20 0.55
CLK4 Q9HAZ1 1/20 0.55
DYRK1B Q9Y463 1/20 0.55
MAPK8 P45983 1/20 0.55

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
SCHEMBL2328646 0.83 CLK1 (0.65) AURKAIDH2KDM4ECDK4CDK2
SCHEMBL6663767 0.83 AURKA (0.72) AURKAIDH2KDM4ETHRBLMNA
SCHEMBL31501743 0.83 AURKA (0.72) AURKAIDH2KDM4ETHRBLMNA
SCHEMBL30847372 0.83 AURKA (0.72) AURKAIDH2KDM4EFLT1FLT4
SCHEMBL2113984 0.83 AURKA (0.77) AURKAIDH2KDM4EAPPMAPK8
SCHEMBL27110454 0.83 AURKA (0.72) AURKAIDH2KDM4EFLT1FLT4
SCHEMBL84379 0.82 AURKA (0.67) AURKAIDH2KDM4EFLT1FLT4
SCHEMBL91479 0.82 CDK2 (0.60) AURKACDK4CDK2LMNAMAPT
SCHEMBL91451 0.81 SMN1; SMN2 (0.67) AURKACDK4CDK2KDRLMNA
SCHEMBL14088797 0.80 PIK3CA (0.62) AURKACDK2FLT1FLT4KDR

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 3 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-20080187575-A1 Pyrimidine Derivatives VICHEM CHEMIE KFT (HU) 2008-08-07 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-20080187575-A1 Pyrimidine Derivatives TYMP, TDP1, PNP AURKA 2479/4885IDH2 211/4885KDM4E 2352/4885
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.