SCHEMBL1129705

SCHEMBL1129705

CC1(C)OB(c2ccc(C(=O)c3ccccc3)cc2F)OC1(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.44
HPGD P15428 5/20 0.44
RAB9A P51151 4/20 0.44
ALOX15 P16050 2/20 0.44
TSHR P16473 2/20 0.44
MAPK1 P28482 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
TP53 P04637 1/20 0.44
ATM Q13315 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
ABCC9 O60706 1/20 0.41
ABCC8 Q09428 1/20 0.41
KCNJ11 Q14654 1/20 0.41
KCNJ8 Q15842 1/20 0.41
P4HB P07237 1/20 0.41
ACHE P22303 2/20 0.40
ALDH1A1 P00352 5/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39

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
SCHEMBL17235879 0.90 CXCR2 (0.43) NPC1HPGDRAB9ATSHRMAPK1
SCHEMBL17235791 0.89 CES2 (0.41) HPGDTSHRSMN1; SMN2L3MBTL1ABCC9
SCHEMBL17235857 0.86 HRH3 (0.39) HPGDRAB9AALOX15TSHRMAPK1
SCHEMBL29528340 0.85 LMNA (0.45) RAB9AMAPK1L3MBTL1P4HBLMNA
SCHEMBL1130939 0.85 LMNA (0.45) RAB9AMAPK1L3MBTL1P4HBLMNA
SCHEMBL1128737 0.83 SRD5A2 (0.43) NPC1HPGDRAB9AALOX15SMN1; SMN2
SCHEMBL31255395 0.83 P4HB (0.39) NPC1HPGDRAB9AALOX15TSHR
SCHEMBL19318869 0.82 CXCR2 (0.38) NPC1HPGDRAB9ASMN1; SMN2L3MBTL1
SCHEMBL30175604 0.82 CXCR2 (0.38) NPC1HPGDRAB9ASMN1; SMN2L3MBTL1
SCHEMBL20995769 0.82 CXCR2 (0.48) NPC1RAB9ATSHRSMN1; SMN2LMNA

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-8481733-B2 Substituted imidazopyr- and imidazotri-azines OSI Pharmaceuticals, LLC (US) 2013-07-09 US disclosed
EP-2283020-B1 SUBSTITUTED IMIDAZOPYR-AND IMIDAZOTRI-AZINES OSI PHARM INC (US) 2012-10-31 EP disclosed
EP-2283020-A1 SUBSTITUTED IMIDAZOPYR-AND IMIDAZOTRI-AZINES OSI Pharmaceuticals, Inc. (US) 2011-02-16 EP disclosed
WO-2009143051-A1 SUBSTITUTED IMIDAZOPYR-AND IMIDAZOTRI-AZINES OSI PHARMACEUTICALS, INC. (US) 2009-11-26 WO disclosed
US-20090286768-A1 SUBSTITUTED IMIDAZOPYR- AND IMIDAZOTRI-AZINES OSI PHARMACEUTICALS, INC. (US) 2009-11-19 US 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-20090286768-A1 SUBSTITUTED IMIDAZOPYR- AND IMIDAZOTRI-AZINES ABL1, TPMT, CYP2C19 NPC1 294/4885HPGD 1283/4885RAB9A 687/4885

“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.