SCHEMBL16808753

SCHEMBL16808753

COCc1cnc(-n2c(C)cc3c(C#N)cccc32)nc1NCc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
VCP P55072 19/20 0.59
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43
CRHBP P24387 1/20 0.43
CRHR2 Q13324 1/20 0.43
PRKDC P78527 1/20 0.43

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
SCHEMBL18160959 0.90 VCP (0.61) VCPPRKDC
SCHEMBL16796043 0.88 VCP (0.61) VCPKDM4EALDH1A1HPGDCRHBP
SCHEMBL16796296 0.85 VCP (0.61) VCPKDM4EALDH1A1
SCHEMBL16796171 0.84 VCP (0.61) VCPKDM4EALDH1A1HPGD
SCHEMBL16796064 0.83 VCP (0.58) VCP
SCHEMBL16796269 0.83 VCP (0.67) VCPPRKDC
SCHEMBL16796204 0.83 VCP (0.58) VCPPRKDC
SCHEMBL16796209 0.83 VCP (0.60) VCPPRKDC
SCHEMBL18163784 0.83 VCP (0.52) VCPPRKDC
SCHEMBL16796078 0.83 VCP (0.57) VCPPRKDC

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-20160304495-A1 MONOCYCLIC PYRIMIDINE/PYRIDINE COMPOUNDS AS INHIBITORS OF P97 COMPLEX CLEAVE BIOSCIENCES, INC. (US) 2016-10-20 US disclosed
WO-2015089218-A1 MONOCYCLIC PYRIMIDINE/PYRIDINE COMPOUNDS AS INHIBITORS OF P97 COMPLEX WUSTROW DAVID (US) 2015-06-18 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-20160304495-A1 MONOCYCLIC PYRIMIDINE/PYRIDINE COMPOUNDS AS INHIBITORS OF P97 COMPLEX PSMG3, PSMD2, PSME1 VCP 67/4885KDM4E 2933/4885ALDH1A1 2684/4885

“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.