SCHEMBL5095146

SCHEMBL5095146

CNC(=O)c1ccc(CN2CCOCC2)cc1

nearest known ligand 0.67

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.67
HIF1A Q16665 5/20 0.67
EPAS1 Q99814 5/20 0.67
NPC1 O15118 4/20 0.65
RAB9A P51151 4/20 0.65
ALDH1A1 P00352 1/20 0.65
KDM4E B2RXH2 1/20 0.65
SMN1; SMN2 Q16637 2/20 0.64
MAPK1 P28482 1/20 0.64
TSHR P16473 1/20 0.63

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
SCHEMBL24728688 0.86 HIF1A (0.68) KMT2AHIF1AEPAS1NPC1RAB9A
SCHEMBL15705708 0.86 HDAC6 (0.73) ALDH1A1KDM4E
SCHEMBL10154018 0.84 HDAC6 (0.71) KMT2AALDH1A1KDM4E
SCHEMBL16810264 0.83 HDAC6 (0.60) NPC1RAB9AALDH1A1KDM4ESMN1; SMN2
SCHEMBL10154345 0.83 HDAC6 (0.78)
SCHEMBL10153821 0.83 ABL1 (0.59) KMT2AHIF1AEPAS1NPC1RAB9A
SCHEMBL10272436 0.83 KMT2A (0.77) KMT2AHIF1AEPAS1NPC1RAB9A
SCHEMBL540760 0.83 HRH3 (0.65) KMT2AHIF1AEPAS1NPC1RAB9A
SCHEMBL8027548 0.82 HPGD (0.68) KMT2AHIF1AEPAS1NPC1RAB9A
SCHEMBL14045111 0.82 KMT2A (0.67) KMT2AHIF1AEPAS1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080300264-A1 SUBSTITUTED THIATRIAZAACENAPHTHYLENE-6-CARBONITRILE KINASE INHIBITORS CONNOLLY PETER J 2008-12-04 US disclosed
US-7427625-B2 Substituted thiatriazaacenaphthylene-6-carbonitrile kinase inhibitors JANSSEN PHARMACEUTICA, N.V. (BE) 2008-09-23 US disclosed
US-20070225309-A1 SUBSTITUTED THIATRIAZAACENAPHTHYLENE-6-CARBONITRILE KINASE INHIBITORS JANSSEN PHARMACEUTICA, N.V. (BE) 2007-09-27 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 (2 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-20070225309-A1 SUBSTITUTED THIATRIAZAACENAPHTHYLENE-6-CARBONITRILE KINASE INHIBITORS MAP3K11, MAP3K6, MAP4K2 KMT2A 1624/4885HIF1A 1413/4885EPAS1 1253/4885
US-20080300264-A1 SUBSTITUTED THIATRIAZAACENAPHTHYLENE-6-CARBONITRILE KINASE INHIBITORS MAP3K11, MAP3K6, MAP4K2 KMT2A 1624/4885HIF1A 1413/4885EPAS1 1253/4885

“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.