SCHEMBL3582789

SCHEMBL3582789

Cc1ccc(CNC(=O)Nc2cccc(C#Cc3c(N)ncnc3N)c2)o1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKB Q96GD4 6/20 0.42
AURKA O14965 5/20 0.42
KDR P35968 8/20 0.40
ROCK2 O75116 2/20 0.40
MAP4K4 O95819 2/20 0.40
LCK P06239 2/20 0.40
CSF1R P07333 2/20 0.40
LYN P07948 2/20 0.40
RET P07949 2/20 0.40
FGFR1 P11362 2/20 0.40
FLT1 P17948 2/20 0.40
RPS6KB1 P23443 2/20 0.40
EPHA2 P29317 2/20 0.40
FLT3 P36888 2/20 0.40
FRK P42685 2/20 0.40
CLK2 P49760 2/20 0.40
BLK P51451 2/20 0.40
NEK2 P51955 2/20 0.40
CSNK1G2 P78368 2/20 0.40
TAOK1 Q7L7X3 2/20 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
SCHEMBL3585164 0.88 LCK (0.46) KDRLCKMAPTTP53MAPK1
SCHEMBL3576758 0.82 KDR (0.52) AURKBAURKAKDRRETRPS6KB1
SCHEMBL3581749 0.81 KDR (0.39) AURKBAURKAKDRROCK2MAP4K4
SCHEMBL3581857 0.81 SMN1; SMN2 (0.42) AURKBAURKAKDRROCK2MAP4K4
SCHEMBL3578577 0.80 GRM5 (0.43) AURKBAURKAKDRROCK2MAP4K4
SCHEMBL3578240 0.79 SMN1; SMN2 (0.50) AURKBAURKAKDRFLT3KIT
SCHEMBL3585247 0.79 POLB (0.53) KDRMAP4K4ALDH1A1
SCHEMBL4719226 0.79 KDR (0.58) AURKBAURKAKDRROCK2MAP4K4
SCHEMBL13500333 0.79 KDR (0.38) AURKBAURKAKDRROCK2MAP4K4
SCHEMBL3578306 0.78 ROCK2 (0.52) AURKBAURKAKDRROCK2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100048543-A1 PYRIMIDINE COMPOUNDS HAVING TIES (TEK) INHIBITORY ACTIVITY ASTRAZENECA AB (SE) 2010-02-25 US disclosed
US-20100048543-A1 PYRIMIDINE COMPOUNDS HAVING TIES (TEK) INHIBITORY ACTIVITY ASTRAZENECA AB (SE) 2010-02-25 US disclosed
US-20100048543-A1 PYRIMIDINE COMPOUNDS HAVING TIES (TEK) INHIBITORY ACTIVITY ASTRAZENECA AB (SE) 2010-02-25 US disclosed
EP-1863805-A1 PYRIMIDINE COMPOUNDS HAVING TIE2 (TEK) INHIBITORY ACTIVITY AstraZeneca AB (SE) 2007-12-12 EP disclosed
WO-2006082373-A1 PYRIMIDINE COMPOUNDS HAVING TIES (TEK) INHIBITORY ACTIVITY ASTRAZENECA AB (SE) 2006-08-10 WO 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-20100048543-A1 PYRIMIDINE COMPOUNDS HAVING TIES (TEK) INHIBITORY ACTIVITY TEK, TYMP, TIE1 AURKB 147/4885AURKA 164/4885KDR 11/4885

“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.