SCHEMBL1129717

SCHEMBL1129717

CON=C(c1ccccc1)c1ccc(B(O)O)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 2/20 0.45
CA4 P22748 1/20 0.45
CA6 P23280 1/20 0.45
CA5A P35218 1/20 0.45
CA7 P43166 1/20 0.45
CA14 Q9ULX7 1/20 0.45
CA5B Q9Y2D0 1/20 0.45
CA2 P00918 4/20 0.44
CA1 P00915 3/20 0.44
MGLL Q99685 1/20 0.44
P4HB P07237 1/20 0.39
ALDH1A1 P00352 3/20 0.38
MAPT P10636 1/20 0.38
MAPK1 P28482 1/20 0.38
RXRA P19793 1/20 0.38
RXRB P28702 1/20 0.38
RXRG P48443 1/20 0.38
LPL P06858 1/20 0.38
LIPG Q9Y5X9 1/20 0.38
TRPV1 Q8NER1 1/20 0.37

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
SCHEMBL211460 0.84 TSHR (0.44) ALDH1A1MAPTMAPK1RXRARXRB
SCHEMBL12260696 0.81 CA4 (0.41) ENPP2CA4CA6CA5ACA7
SCHEMBL6815969 0.78 KMT2A (0.53) ALDH1A1MAPTMAPK1RXRARXRB
SCHEMBL5785943 0.78 GSK3B (0.53) ALDH1A1MAPTMAPK1RXRARXRB
SCHEMBL5785941 0.78 GSK3B (0.53) ALDH1A1MAPTMAPK1RXRARXRB
SCHEMBL1131354 0.77 HPGD (0.53) ENPP2CA4CA6CA5ACA7
SCHEMBL1131356 0.77 HPGD (0.53) ENPP2CA4CA6CA5ACA7
SCHEMBL14578045 0.76 CA2 (0.47) ENPP2CA2CA1MAPTMAPK1
SCHEMBL14334404 0.74 NPC1 (0.44) ALDH1A1MAPTMAPK1KMT2APOLB
SCHEMBL17257295 0.74 SMN1; SMN2 (0.50) CA2CA1ALDH1A1MAPTMAPK1

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 ENPP2 4012/4885CA4 874/4885CA6 1644/4885

“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.