SCHEMBL4559996

SCHEMBL4559996

CCn1c(-c2ccccc2F)nc2[nH]cnc2c1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 2/20 0.43
BTK Q06187 2/20 0.43
LYN P07948 1/20 0.41
KMT2A Q03164 3/20 0.39
KDM4E B2RXH2 3/20 0.39
MEN1 O00255 2/20 0.39
ALDH1A1 P00352 2/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
KDM5B Q9UGL1 2/20 0.37
HTR3A P46098 1/20 0.37
PDE4B Q07343 2/20 0.36
PDE4A P27815 1/20 0.36
ADORA2A P29274 1/20 0.36
PDE4C Q08493 1/20 0.36
PDE4D Q08499 1/20 0.36
PARP1 P09874 1/20 0.36
CASR P41180 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36

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
SCHEMBL4559789 0.85 PARP1 (0.42) LYNKMT2AMEN1ALDH1A1PDE4B
SCHEMBL4560230 0.84 P2RX7 (0.36) SRCBTKPDE4BPDE4AADORA2A
SCHEMBL4559991 0.74 PDE4A (0.41) KMT2AALDH1A1SMN1; SMN2PDE4BPDE4A
SCHEMBL874734 0.72 ADORA2A (0.45) HTTPDE4BPDE4AADORA2APDE4C
SCHEMBL1533589 0.71 KMT2A (0.50) KMT2AKDM4EMEN1ALDH1A1HTT
SCHEMBL17186278 0.69 KMT2A (0.41) KMT2AKDM4EALDH1A1HTTSMN1; SMN2
SCHEMBL5470198 0.68 PARP1 (0.40) PARP1CYP1A2CYP3A4CYP2C19LMNA
Hydrochloric Acid SCHEMBL18605854 0.68 KMT2A (0.41) KMT2AKDM4EALDH1A1HTTSMN1; SMN2
SCHEMBL5468167 0.66 HSD11B1 (0.37)
SCHEMBL5429613 0.66 ADORA2A (0.41) SRCKMT2AKDM4EMEN1ALDH1A1

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-20090298856-A1 2,3 Substituted fused bicyclic pyrimidin-4(3H)-ones modulating the function of the vanilliod-1receptor (VR1) BROWN REBECCA ELIZABETH 2009-12-03 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-20090298856-A1 2,3 Substituted fused bicyclic pyrimidin-4(3H)-ones modulating the function of the vanilliod-1receptor (VR1) TRPV1, TRPV2, TRPV4 SRC 3693/4885BTK 1862/4885LYN 3073/4885

“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.