SCHEMBL3449292

SCHEMBL3449292

COC(=O)c1cc(-c2cnc(Nc3ccc(F)c(Cl)c3)nc2-n2ccc(C(F)(F)F)n2)cnc1N

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 2/20 0.39
PDGFRB P09619 4/20 0.38
KDR P35968 4/20 0.38
SYK P43405 1/20 0.38
MAPK1 P28482 1/20 0.37
STK17A Q9UEE5 2/20 0.37
STK17B O94768 1/20 0.37
CSNK1A1 P48729 1/20 0.36
MAPT P10636 1/20 0.36
CSNK2A1 P68400 1/20 0.36
TDO2 P48775 1/20 0.36
CSF1R P07333 1/20 0.35
CHRNA7 P36544 1/20 0.35
ULK1 O75385 1/20 0.35
PTK2 Q05397 1/20 0.35

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
SCHEMBL3378656 0.92 PTK2 (0.37) SYKSTK17ASTK17BMAPTCSNK2A1
SCHEMBL3449213 0.92 SYK (0.41) NTRK1PDGFRBKDRSYKMAPK1
SCHEMBL3448841 0.89 TYRO3 (0.42) SYKMAPTCSF1RPTK2
SCHEMBL3451173 0.88 CSF1R (0.42) SYKSTK17ASTK17BCSF1RPTK2
SCHEMBL3448739 0.87 MAPT (0.36) PDGFRBSYKMAPTCSNK2A1ULK1
SCHEMBL3448901 0.87 EGFR (0.41) NTRK1KDRSYKCSNK2A1CSF1R
SCHEMBL3449613 0.87 PTK2 (0.37) SYKMAPK1STK17ASTK17BCSF1R
SCHEMBL3449064 0.86 CSNK2A1 (0.42) SYKSTK17ASTK17BCSNK2A1ULK1
SCHEMBL3374098 0.86 MAPT (0.40) SYKMAPK1CSNK1A1MAPTCSNK2A1
SCHEMBL3447244 0.86 PTK2 (0.42) ULK1PTK2

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-20100137313-A1 HETEROCYCLIC DERIVATIVES AND METHODS OF USE THEREOF ASTRAZENECA AB 2010-06-03 US disclosed
US-20100137313-A1 HETEROCYCLIC DERIVATIVES AND METHODS OF USE THEREOF ASTRAZENECA AB 2010-06-03 US disclosed
US-20100137313-A1 HETEROCYCLIC DERIVATIVES AND METHODS OF USE THEREOF ASTRAZENECA AB 2010-06-03 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-20100137313-A1 HETEROCYCLIC DERIVATIVES AND METHODS OF USE THEREOF SDHA, SDHB, UROD NTRK1 4774/4885PDGFRB 2785/4885KDR 4837/4885

“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.