SCHEMBL16999980

SCHEMBL16999980

CC(C)c1ccnc2ccc(C(F)(F)F)cc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK2 O43353 3/20 0.47
KDR P35968 2/20 0.47
MAPK14 Q16539 1/20 0.47
GAK O14976 3/20 0.46
NLK Q9UBE8 2/20 0.46
EPHB6 O15197 1/20 0.46
ABL1 P00519 1/20 0.46
LCK P06239 1/20 0.46
EPHA1 P21709 1/20 0.46
EPHA8 P29322 1/20 0.46
TXK P42681 1/20 0.46
COQ8A Q8NI60 1/20 0.46
AAK1 Q2M2I8 3/20 0.45
STK16 O75716 1/20 0.45
EGFR P00533 1/20 0.45
BMP2K Q9NSY1 1/20 0.45
IRAK3 Q9Y616 1/20 0.45
CCNC P24863 1/20 0.45
CDK8 P49336 1/20 0.45
SLC22A12 Q96S37 1/20 0.42

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
SCHEMBL5018907 0.87 ADRB2 (0.48) RIPK2KDRMAPK14GAKNLK
SCHEMBL19499073 0.85 RIPK2 (0.45) RIPK2KDRMAPK14GAKNLK
SCHEMBL5548218 0.80 CCNC (0.45) RIPK2KDRMAPK14GAKNLK
SCHEMBL422643 0.78 SMN1; SMN2 (0.59) RIPK2KDRMAPK14GAKNLK
SCHEMBL21138127 0.78 CCNC (0.45) RIPK2GAKAAK1CCNCCDK8
SCHEMBL16289500 0.78 CCNC (0.48) RIPK2KDRMAPK14GAKNLK
SCHEMBL21173342 0.76 GAK (0.48) GAKCDK2CCNE2CCNA2CCNE1
SCHEMBL16248020 0.76 CCNC (0.49) RIPK2KDRMAPK14GAKNLK
SCHEMBL19447850 0.76 ADRA1A (0.51) SLC22A12IRAK4SMN1; SMN2
SCHEMBL12120795 0.76 IRAK4 (0.38) KDRABL1LCKAURKAMAP4K4

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150225369-A1 DDR2 INHIBITORS FOR THE TREATMENT OF OSTEOARTHRITIS MERCK PATENT GMBH (DE) 2015-08-13 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-20150225369-A1 DDR2 INHIBITORS FOR THE TREATMENT OF OSTEOARTHRITIS DDR2, DDR1, DDRGK1 RIPK2 472/4885KDR 404/4885MAPK14 455/4885

“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.