SCHEMBL5798702

SCHEMBL5798702

COc1ccc(-c2cnc(N)nc2C)cc1OC

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 2/20 0.67
DHFR P00374 3/20 0.63
FGFR1 P11362 1/20 0.53
KDM4E B2RXH2 2/20 0.52
ADORA2A P29274 1/20 0.52
KIT P10721 1/20 0.51
KMT2A Q03164 2/20 0.49
ATM Q13315 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
MEN1 O00255 1/20 0.49
HSD17B10 Q99714 2/20 0.49
HTT P42858 1/20 0.48
TSHR P16473 1/20 0.47
CHEK1 O14757 1/20 0.47
CHEK2 O96017 1/20 0.47
JAK2 O60674 1/20 0.47
JAK1 P23458 1/20 0.47
TYK2 P29597 1/20 0.47
KDR P35968 1/20 0.47
JAK3 P52333 1/20 0.47

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
SCHEMBL12844257 0.84 ADORA1 (0.51) ADORA1DHFRKDM4EKITKMT2A
SCHEMBL2432125 0.84 ADORA1 (0.65) ADORA1DHFRFGFR1KDM4EADORA2A
SCHEMBL5798721 0.83 CHEK1 (0.49) ADORA1DHFRFGFR1KDM4EKMT2A
SCHEMBL1388630 0.78 DHFR (0.79) ADORA1DHFRADORA2AKMT2AHTT
SCHEMBL28395623 0.77 ADORA1 (0.75) ADORA1DHFRADORA2AKITKMT2A
SCHEMBL5453884 0.76 ADORA1 (0.70) ADORA1DHFRADORA2AKITKMT2A
SCHEMBL1257025 0.75 KMT2A (0.47) ADORA1DHFRKDM4EADORA2AKMT2A
SCHEMBL3646164 0.75 PIK3CD (0.58) DHFRFGFR1KDM4EKMT2AMEN1
SCHEMBL15984815 0.74 MAPT (0.50) ADORA1DHFRKDM4EKMT2AATM
SCHEMBL3644593 0.74 DHFR (0.56) ADORA1DHFRADORA2AKDRJAK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060116368-A1 4-Piperidinecarboxamide modulators of vanilloid VR1 receptor JANSSEN PHARMACEUTICA N.V. (BE) 2006-06-01 US disclosed
WO-2006058338-A2 4 - PIPERIDINECARBOXAMIDE DERIVATIVES AS MODULATORS OF VANILLOID VR1 RECEPTOR JANSSEN PHARMACEUTICA N.V. (BE) 2006-06-01 WO 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-20060116368-A1 4-Piperidinecarboxamide modulators of vanilloid VR1 receptor VDAC1, TRPV1, HVCN1 ADORA1 192/4885DHFR 3788/4885FGFR1 3929/4885

“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.