SCHEMBL3323149

SCHEMBL3323149

OB(O)c1ccc(NCCN2CCOCC2)nc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FYN P06241 3/20 0.49
KDR P35968 1/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
CYP1A2 P05177 5/20 0.44
ALDH1A1 P00352 5/20 0.44
CYP3A4 P08684 4/20 0.44
CYP2C19 P33261 4/20 0.44
HSD17B10 Q99714 4/20 0.44
TSHR P16473 3/20 0.44
CYP2D6 P10635 3/20 0.44
CLK4 Q9HAZ1 2/20 0.44
ATR Q13535 1/20 0.44
HIF1A Q16665 1/20 0.44
ALOX15 P16050 1/20 0.44
KDM4E B2RXH2 2/20 0.43
LMNA P02545 2/20 0.43
MAPT P10636 2/20 0.43
SIGMAR1 Q99720 2/20 0.43
ABL1 P00519 1/20 0.43

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
SCHEMBL29036797 0.82 FYN (0.60) FYNKDRNPC1RAB9ACYP1A2
SCHEMBL1366978 0.81 FYN (0.42) FYNKDRNPC1RAB9ACYP1A2
SCHEMBL7936724 0.80 CYP3A4 (0.52) FYNKDRNPC1RAB9ACYP1A2
SCHEMBL2961915 0.80 BACE1 (0.51) FYNKDRNPC1RAB9ACYP1A2
SCHEMBL3383793 0.80 ATR (0.51) FYNKDRNPC1RAB9ACYP1A2
SCHEMBL1256123 0.80 TSHR (0.60) FYNKDRNPC1RAB9ACYP1A2
SCHEMBL13349310 0.78 KDR (0.49) FYNKDRNPC1RAB9ACYP1A2
SCHEMBL14454200 0.77 NPC1 (0.51) FYNKDRNPC1RAB9ACYP1A2
SCHEMBL2056410 0.77 KDR (0.48) FYNKDRNPC1RAB9ACYP1A2
SCHEMBL28524190 0.77 HRH3 (0.43) CYP1A2ALDH1A1CYP2D6SIGMAR1CHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2114941-B1 BICYCLIC HETEROCYCLIC COMPOUNDS AS FGFR INHIBITORS ASTEX THERAPEUTICS LTD (GB) 2015-03-25 EP disclosed
US-8895745-B2 Bicyclic heterocyclic compounds as FGFR inhibitors ASTEX THERAPEUTICS LIMITED (GB) 2014-11-25 US disclosed
US-20120208792-A1 PROTEIN KINASE MODULATORS CYLENE PHARMACEUTICALS, INC. (US) 2012-08-16 US disclosed
US-8168651-B2 Protein kinase modulators CYLENE PHARMACEUTICALS, INC. (US) 2012-05-01 US disclosed
US-8168651-B2 Protein kinase modulators CYLENE PHARMACEUTICALS, INC. (US) 2012-05-01 US disclosed
US-20100120761-A1 Bicyclic Heterocyclic Compounds as FGFR Inhibitors ASTEX THERAPEUTICS LIMITED (GB) 2010-05-13 US disclosed
US-20090239859-A1 PROTEIN KINASE MODULATORS SENHWA BIOSCIENCES, INC. (TW) 2009-09-24 US disclosed
US-20090239859-A1 PROTEIN KINASE MODULATORS SENHWA BIOSCIENCES, INC. (TW) 2009-09-24 US disclosed
WO-2009108912-A1 PROTEIN KINASE MODULATORS CYLENE PHARMACEUTICALS, INC. (US) 2009-09-03 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 (3 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-20100120761-A1 Bicyclic Heterocyclic Compounds as FGFR Inhibitors FGFR3, FGFR1, FGFR2 FYN 41/4885KDR 32/4885NPC1 2126/4885
US-20120208792-A1 PROTEIN KINASE MODULATORS PIM1, PIM2, PIM3 FYN 70/4885KDR 329/4885NPC1 4507/4885
US-20090239859-A1 PROTEIN KINASE MODULATORS PIM1, PIM2, PIM3 FYN 70/4885KDR 329/4885NPC1 4507/4885

“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.