SCHEMBL13764237

SCHEMBL13764237

COc1ccc(CNC(=O)c2ccc(B(O)O)cc2)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.68
RAB9A P51151 4/20 0.68
EPHX2 P34913 2/20 0.68
KMT2A Q03164 2/20 0.68
MEN1 O00255 1/20 0.68
NR1H4 Q96RI1 1/20 0.68
L3MBTL1 Q9Y468 1/20 0.68
ALDH1A1 P00352 3/20 0.67
SMN1; SMN2 Q16637 1/20 0.67
TRPV1 Q8NER1 1/20 0.64
PPARG P37231 1/20 0.60
TSHR P16473 1/20 0.57
GAA P10253 1/20 0.56
HDAC1 Q13547 2/20 0.55
HDAC6 Q9UBN7 1/20 0.55
HPGD P15428 2/20 0.55
CA1 P00915 1/20 0.54
CA2 P00918 1/20 0.54
ENPP2 Q13822 1/20 0.54
CXCR3 P49682 1/20 0.54

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
SCHEMBL17339577 1.00 NPC1 (0.68) NPC1RAB9AEPHX2KMT2AMEN1
SCHEMBL9416606 0.89 NPC1 (0.82) NPC1RAB9AEPHX2KMT2AMEN1
SCHEMBL11761142 0.89 NPC1 (0.82) NPC1RAB9AEPHX2KMT2AMEN1
SCHEMBL17339453 0.87 SMN1; SMN2 (0.63) NPC1RAB9AEPHX2KMT2AMEN1
SCHEMBL12666708 0.85 MMP13 (0.61) NPC1RAB9AEPHX2KMT2AMEN1
SCHEMBL17339606 0.84 MMP13 (0.67) RAB9AKMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL17339329 0.84 TRPV1 (0.69) KMT2AMEN1ALDH1A1SMN1; SMN2TRPV1
SCHEMBL25442568 0.84 NPC1 (0.74) NPC1RAB9AEPHX2KMT2AMEN1
SCHEMBL12215290 0.84 NPC1 (0.74) NPC1RAB9AEPHX2KMT2AMEN1
SCHEMBL5863585 0.84 NPC1 (0.74) NPC1RAB9AEPHX2KMT2AMEN1

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-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
US-7557104-B2 Imidazopyrazines as protein kinase inhibitors SCHERING CORPORATION (US) 2009-07-07 US disclosed
US-7557104-B2 Imidazopyrazines as protein kinase inhibitors SCHERING CORPORATION (US) 2009-07-07 US disclosed
US-20080027063-A1 IMIDAZOPYRAZINES AS PROTEIN KINASE INHIBITORS SCHERING CORPORATION 2008-01-31 US disclosed
US-20080027063-A1 IMIDAZOPYRAZINES AS PROTEIN KINASE INHIBITORS SCHERING CORPORATION 2008-01-31 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-20080027063-A1 IMIDAZOPYRAZINES AS PROTEIN KINASE INHIBITORS CHEK1, CHEK2, CDKN1A NPC1 3810/4885RAB9A 3242/4885EPHX2 3595/4885

“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.