SCHEMBL805608

SCHEMBL805608

CCc1nc(Nc2nc(-c3ccccc3C)nc3c2CCCCC3)n[nH]1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
USP1 O94782 2/20 0.41
WDR48 Q8TAF3 2/20 0.41
VCP P55072 3/20 0.40
IGF1R P08069 5/20 0.38
PDE4B Q07343 2/20 0.38
NPC1 O15118 1/20 0.37
ALDH1A1 P00352 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
EPHA4 P54764 1/20 0.34
USP2 O75604 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
ALOX15 P16050 1/20 0.34
CYP2C19 P33261 1/20 0.34
HSD17B10 Q99714 1/20 0.34
CLK4 Q9HAZ1 1/20 0.34
LMNA P02545 1/20 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
SCHEMBL802165 0.90 USP1 (0.40) USP1WDR48VCPIGF1RPDE4B
SCHEMBL805607 0.87 GSK3A (0.45) USP1WDR48VCPIGF1RPDE4B
SCHEMBL14164022 0.78 USP1 (0.39) USP1WDR48IGF1RPDE4BCYP1A2
SCHEMBL802429 0.78 GSK3A (0.42) USP1WDR48VCPIGF1RPDE4B
SCHEMBL802431 0.76 USP1 (0.41) USP1WDR48IGF1RPDE4BUSP2
SCHEMBL801800 0.76 GSK3A (0.40) USP1WDR48VCPIGF1RALDH1A1
SCHEMBL801795 0.76 USP1 (0.44) USP1WDR48VCPIGF1RPDE4B
SCHEMBL801830 0.75 GSK3A (0.60) USP1WDR48VCPIGF1RPDE4B
SCHEMBL801759 0.74 GSK3A (0.41) USP1WDR48VCPIGF1RALDH1A1
SCHEMBL802244 0.73 GSK3A (0.61) USP1WDR48VCPIGF1RPDE4B

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-20120071657-A1 TRIAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-03-22 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-20120071657-A1 TRIAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS GSK3B, GSK3A, CDK19 USP1 3070/4885WDR48 1491/4885VCP 4775/4885

“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.