SCHEMBL4268623

SCHEMBL4268623

Cn1nc(-c2ccc(NC(=O)Nc3ccc4ccccc4c3)c(F)c2)c2cnc(NCCN3CCOCC3)nc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 3/20 0.45
MERTK Q12866 4/20 0.44
HTR2A P28223 1/20 0.43
HTR2C P28335 1/20 0.43
RIPK1 Q13546 1/20 0.42
RIPK3 Q9Y572 1/20 0.42
MTOR P42345 2/20 0.42
PIK3CA P42336 1/20 0.42
PIK3CG P48736 1/20 0.42
CSNK2A1 P68400 1/20 0.41
LCK P06239 4/20 0.41
MOK Q9UQ07 1/20 0.40
AXL P30530 1/20 0.40
TYRO3 Q06418 1/20 0.40
KDR P35968 3/20 0.40
MAPK14 Q16539 3/20 0.40
JAK3 P52333 2/20 0.40
SRC P12931 1/20 0.40
TYK2 P29597 1/20 0.40
SYK P43405 1/20 0.40

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
SCHEMBL4262605 0.92 RIPK1 (0.46) MERTKRIPK1RIPK3CSNK2A1LCK
SCHEMBL4261886 0.91 MERTK (0.51) EPHX2MERTKRIPK1RIPK3CSNK2A1
SCHEMBL4264563 0.90 EPHX2 (0.46) EPHX2MERTKHTR2AHTR2CRIPK1
SCHEMBL4708561 0.87 MERTK (0.48) MERTKRIPK1RIPK3MTORPIK3CA
SCHEMBL4409304 0.83 RET (0.55) KDR
SCHEMBL4257158 0.83 CD274 (0.44) MERTKRIPK1RIPK3LCKAXL
SCHEMBL13949440 0.82 RIPK1 (0.47) EPHX2MERTKRIPK1RIPK3CSNK2A1
SCHEMBL4259407 0.82 KDR (0.54) EPHX2MERTKLCKKDRMAPK14
SCHEMBL4255947 0.81 RIPK1 (0.45) MERTKRIPK1RIPK3MTORPIK3CA
SCHEMBL4256025 0.81 EPHX2 (0.49) EPHX2MERTKRIPK1RIPK3MTOR

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
EP-1432714-B1 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2008-08-06 EP claimed
US-20040198751-A1 Pyrazolo-pyrimidine compound; anticancer agents SMITHKLINE BEECHAM CORPORATION 2004-10-07 US claimed
US-20090029989-A1 SUBSTITUTED PYRAZOLOPYRIMIDINES ADAMS JERRY LEROY 2009-01-29 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-20090029989-A1 SUBSTITUTED PYRAZOLOPYRIMIDINES DPYD, TPMT, TYMP EPHX2 1336/4885MERTK 3028/4885HTR2A 2614/4885
US-20040198751-A1 Pyrazolo-pyrimidine compound; anticancer agents DPYD, TYMP, TYMS EPHX2 2824/4885MERTK 2111/4885HTR2A 3836/4885

“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.