SCHEMBL1128737

SCHEMBL1128737

CC1(C)OB(c2ccc(C(=O)c3ccccc3)cc2Cl)OC1(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 2/20 0.43
VCAM1 P19320 1/20 0.43
ATM Q13315 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
P4HB P07237 1/20 0.41
PDK1 Q15118 2/20 0.41
PDK2 Q15119 2/20 0.41
PDK3 Q15120 2/20 0.41
PDK4 Q16654 2/20 0.41
ALDH1A1 P00352 4/20 0.40
POLB P06746 1/20 0.40
ALOX15 P16050 1/20 0.39
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
HPGD P15428 3/20 0.38
GLA P06280 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL31255157 0.89 VCAM1 (0.46) SRD5A2VCAM1ATMTDP1L3MBTL1
SCHEMBL1130339 0.85 TSHR (0.49) SRD5A2L3MBTL1P4HBPDK1PDK2
SCHEMBL31255315 0.85 P4HB (0.40) SRD5A2VCAM1ATMTDP1L3MBTL1
SCHEMBL1129705 0.83 NPC1 (0.44) SRD5A2ATMTDP1L3MBTL1P4HB
SCHEMBL31255678 0.83 HPGD (0.39) P4HBALDH1A1POLBALOX15MEN1
SCHEMBL31255376 0.82 RXRA (0.42) SRD5A2P4HBALDH1A1POLBALOX15
SCHEMBL15556525 0.81 PARP1 (0.38) MEN1KMT2ASMN1; SMN2
SCHEMBL31255328 0.79 HPGD (0.41) P4HBALDH1A1POLBALOX15NPC1
SCHEMBL15708918 0.79 HSP90AA1 (0.36) PDK2ALDH1A1HPGDSMN1; SMN2
SCHEMBL4468874 0.79 ALDH1A1 (0.44) ATMTDP1L3MBTL1PDK1PDK2

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 SRD5A2 671/4885VCAM1 4819/4885ATM 2273/4885

“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.