SCHEMBL4149506

SCHEMBL4149506

c1ccc2c(Nc3cc[nH]n3)ncnc2c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 7/20 0.57
EGFR P00533 7/20 0.57
MAP4K4 O95819 2/20 0.57
LTK P29376 2/20 0.57
MAPK8 P45983 2/20 0.57
LIMK1 P53667 2/20 0.57
ACVR1 Q04771 2/20 0.57
DYRK1A Q13627 2/20 0.57
MAPK14 Q16539 2/20 0.57
LRRK2 Q5S007 2/20 0.57
AURKB Q96GD4 2/20 0.57
CLK4 Q9HAZ1 2/20 0.57
DYRK1B Q9Y463 2/20 0.57
DAPK3 O43293 1/20 0.57
ABL1 P00519 1/20 0.57
ERBB2 P04626 1/20 0.57
PIM1 P11309 1/20 0.57
PRKACA P17612 1/20 0.57
CSNK1A1 P48729 1/20 0.57
RPS6KA3 P51812 1/20 0.57

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
Ethoxycarbonyl Group SCHEMBL27863143 0.85 SMN1; SMN2 (0.48) ABCG2EGFRMAP4K4LTKMAPK8
SCHEMBL29058817 0.80 FLT1 (0.45) EGFRERBB2KDRHTTMAPK1
SCHEMBL30395595 0.80 FLT1 (0.45) EGFRERBB2KDRHTTMAPK1
SCHEMBL8976752 0.79 EGFR (0.78) ABCG2EGFRMAP4K4LTKMAPK8
SCHEMBL27863154 0.77 AURKA (0.34) ABCG2EGFRMAP4K4LTKMAPK8
SCHEMBL8704247 0.77 EGFR (0.63) ABCG2EGFRKDR
SCHEMBL31471762 0.76 APP (0.52) ABCG2AURKBRAB9AHTTNPC1
Hydrochloric Acid SCHEMBL7248432 0.76 EGFR (0.64) ABCG2EGFRKDRPDGFRA
SCHEMBL6831353 0.76 EGFR (0.62) ABCG2EGFRMAP4K4LTKMAPK8
SCHEMBL29997075 0.75 AURKA (0.62) EGFRAURKBFGFR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090036474-A1 Quinazoline derivatives for use against cancer PLE PATRICK 2009-02-05 US disclosed
US-20090036485-A1 Quinoline derivatives JUNG FREDERIC HENRI 2009-02-05 US disclosed
EP-1802608-A1 QUINAZOLINE DERIVATIVES FOR USE AGAINST CANCER AstraZeneca AB (SE) 2007-07-04 EP disclosed
EP-1802603-A1 QUINOLINE DERIVATIVES AstraZeneca AB (SE) 2007-07-04 EP disclosed
WO-2006040522-A1 QUINOLINE DERIVATIVES ASTRAZENECA AB (SE) 2006-04-20 WO disclosed
WO-2006040526-A1 QUINAZOLINE DERIVATIVES FOR USE AGAINST CANCER ASTRAZENECA AB (SE) 2006-04-20 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 (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-20090036485-A1 Quinoline derivatives AQP3, PGF, AQP1 ABCG2 32/4885EGFR 1668/4885MAP4K4 1862/4885
US-20090036474-A1 Quinazoline derivatives for use against cancer AQP3, AQP1, F12 ABCG2 8/4885EGFR 713/4885MAP4K4 943/4885

“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.