SCHEMBL19201115

SCHEMBL19201115

Oc1ccnc2c(Br)cnn12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 3/20 0.44
ABL1 P00519 1/20 0.44
AXL P30530 1/20 0.43
MEN1 O00255 1/20 0.41
USP2 O75604 1/20 0.41
KMT2A Q03164 1/20 0.41
KEAP1 Q14145 1/20 0.41
NFE2L2 Q16236 1/20 0.41
TLR9 Q9NR96 1/20 0.41
PRKAB2 O43741 1/20 0.39
PRKAG1 P54619 1/20 0.39
PRKAA2 P54646 1/20 0.39
PRKAA1 Q13131 1/20 0.39
PRKAG3 Q9UGI9 1/20 0.39
PRKAG2 Q9UGJ0 1/20 0.39
PRKAB1 Q9Y478 1/20 0.39
KDM4E B2RXH2 5/20 0.34
CDK2 P24941 4/20 0.34
ALDH1A1 P00352 3/20 0.34
CLK4 Q9HAZ1 2/20 0.34

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
SCHEMBL24938786 0.80 KDM4E (0.36) KDM4EALDH1A1CLK4HPGDHTT
SCHEMBL127121 0.77 SMPD3 (0.43) KDRABL1MEN1KMT2AKDM4E
SCHEMBL1244741 0.77 AXL (0.43) KDRABL1AXLMEN1USP2
SCHEMBL11931575 0.74 GSK3B (0.41) KDRABL1AXLMEN1USP2
SCHEMBL13309475 0.73 PRKAB2 (0.40) KDRABL1AXLMEN1USP2
SCHEMBL14264667 0.73 KDM4E (0.36) MEN1KMT2AKDM4EALDH1A1CLK4
SCHEMBL4788709 0.73 KDR (0.41) KDRABL1AXLMEN1USP2
SCHEMBL7577615 0.73 KDM4E (0.36) KDM4EALDH1A1CLK4HPGDHTT
SCHEMBL14565531 0.69 GSK3B (0.43) AXLCDK2
SCHEMBL3162758 0.68 SMN1; SMN2 (0.56) KDM4EALDH1A1CLK4HPGDHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170217966-A1 PYRAZOLOPYRIMIDINE COMPOUNDS UNIVERSITY HEALTH NETWORK (CA) 2017-08-03 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-20170217966-A1 PYRAZOLOPYRIMIDINE COMPOUNDS CYP3A5, CYP3A7, DPYD KDR 3802/4885ABL1 635/4885AXL 3354/4885

“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.