SCHEMBL1876428

SCHEMBL1876428

Oc1ccc2ncn(C(c3ccccc3)(c3ccccc3)c3ccccc3)c2c1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FGFR1 P11362 5/20 0.45
SRC P12931 1/20 0.36
ESR2 Q92731 2/20 0.36
HTT P42858 2/20 0.34
BACE1 P56817 1/20 0.34
ALDH1A1 P00352 2/20 0.33
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
HPGD P15428 1/20 0.33
MAPK1 P28482 1/20 0.33
MAPK10 P53779 1/20 0.33
NCOA1 Q15788 1/20 0.33
NCOA3 Q9Y6Q9 1/20 0.33
ESR1 P03372 1/20 0.33
CYP3A4 P08684 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33

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
SCHEMBL1878053 0.88 FGFR1 (0.56) FGFR1SRCESR2ALDH1A1HPGD
SCHEMBL3050514 0.86 FGFR1 (0.42) FGFR1SRCCYP11B1CYP11B2CYP3A4
SCHEMBL29795166 0.83 HTT (0.35) FGFR1SRCHTTALDH1A1CYP11B1
SCHEMBL29447536 0.81 NPC1 (0.39) FGFR1HTTALDH1A1CYP11B1CYP11B2
SCHEMBL3037362 0.81 NPC1 (0.39) FGFR1HTTALDH1A1CYP11B1CYP11B2
SCHEMBL3856673 0.81 FGFR1 (0.45) FGFR1HTTALDH1A1CYP11B1CYP11B2
SCHEMBL2967845 0.81 ACSS2 (0.38) FGFR1HTTCYP11B1CYP11B2MAPK1
SCHEMBL2794301 0.80 HTT (0.48) FGFR1HTTCYP11B1CYP11B2HPGD
SCHEMBL3081829 0.78 CYP11B1 (0.39) HTTCYP11B1CYP11B2MAPK1
SCHEMBL6489900 0.78 FGFR1 (0.45) FGFR1HTTALDH1A1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7939528-B2 Heterocycle compounds GLAXOSMITHKLINE LLC (US) 2011-05-10 US disclosed
US-7939528-B2 Heterocycle compounds GLAXOSMITHKLINE LLC (US) 2011-05-10 US disclosed
US-7939528-B2 Heterocycle compounds GLAXOSMITHKLINE LLC (US) 2011-05-10 US disclosed
US-20090054431-A1 NOVEL HETEROCYCLE COMPOUNDS GLAXOSMITHKLINE LLC 2009-02-26 US disclosed
US-20090054431-A1 NOVEL HETEROCYCLE COMPOUNDS GLAXOSMITHKLINE LLC 2009-02-26 US disclosed
US-20090054431-A1 NOVEL HETEROCYCLE COMPOUNDS GLAXOSMITHKLINE LLC 2009-02-26 US disclosed
WO-2007047397-A2 PHENOL ETHERS AS MODULATORS OF THE OPIOID RECEPTORS SMITHKLINE BEECHAM CORPORATION (US) 2007-04-26 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-20090054431-A1 NOVEL HETEROCYCLE COMPOUNDS OPRK1, OPRL1, OPRD1 FGFR1 1170/4885SRC 4221/4885ESR2 313/4885

“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.