SCHEMBL2446897

SCHEMBL2446897

COc1ccc(F)c(-c2ncnc3c(Cl)cccc23)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FGFR2 P21802 1/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
HPGD P15428 1/20 0.39
KDM4E B2RXH2 1/20 0.39
POLB P06746 1/20 0.39
CLK1 P49759 2/20 0.39
PIM1 P11309 1/20 0.39
EGFR P00533 2/20 0.38
CTSA P10619 1/20 0.38
KDM1A O60341 1/20 0.38
KDR P35968 1/20 0.38
KCNH2 Q12809 2/20 0.38
MEN1 O00255 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
TSHR P16473 1/20 0.36

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
SCHEMBL2449164 0.88 HSP90AA1 (0.43) FGFR2ALDH1A1LMNAHPGDKDM4E
SCHEMBL3350743 0.85 NR1H2 (0.46) EGFRKDR
SCHEMBL2452934 0.84 NR1H2 (0.39) NPC1RAB9ACLK1PIM1KDM1A
SCHEMBL3506200 0.81 NR1H2 (0.55) KDR
SCHEMBL2449160 0.81 AURKA (0.37) PIM1EGFRKDM1AKCNH2CLK4
SCHEMBL3507434 0.81 NR1H2 (0.58)
SCHEMBL3509660 0.80 MAP4K4 (0.39) EGFRERBB3
SCHEMBL27775786 0.80 KMT2A (0.40) LMNAHPGDKDM4EPOLBEGFR
SCHEMBL3350996 0.80 EGFR (0.40) EGFRKDRKCNH2
SCHEMBL3348163 0.80 EGFR (0.38) EGFRKDR

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
EP-2367801-A1 POLAR QUINAZOLINES AS LIVER X RECEPTORS ( LXRS ) MODULATORS Wyeth LLC (US) 2011-09-28 EP disclosed
US-20100273816-A1 Quinazoline Compounds WYETH LLC 2010-10-28 US disclosed
US-20100184786-A1 Polar Quinazolines WYETH LLC (US) 2010-07-22 US disclosed
WO-2010059627-A1 POLAR QUINAZOLINES AS LIVER X RECEPTORS ( LXRS ) MODULATORS WYETH LLC (US) 2010-05-27 WO disclosed
EP-2142517-A2 QUINAZOLINE COMPOUNDS Wyeth (US) 2010-01-13 EP disclosed
WO-2009020683-A2 QUINAZOLINE COMPOUNDS WYETH (US) 2009-02-12 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-20100184786-A1 Polar Quinazolines NR1H3, NR1H2, NR1I3 FGFR2 2950/4885NPC1 314/4885RAB9A 341/4885
US-20100273816-A1 Quinazoline Compounds NR1H3, NR1H2, NR1I3 FGFR2 3126/4885NPC1 270/4885RAB9A 214/4885

“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.