SCHEMBL4572198

SCHEMBL4572198

CCCn1nc(I)c2c(N)nc(C#N)nc21

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDE8B O95263 1/20 0.34
LMNA P02545 1/20 0.31
CTSL P07711 1/20 0.31
CTSB P07858 1/20 0.31
MAPT P10636 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
HTT P42858 1/20 0.30

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
SCHEMBL4572180 0.80 PDE5A (0.32)
SCHEMBL4572202 0.76 PIK3CD (0.31) PDE8B
SCHEMBL4572201 0.71 RET (0.48)
SCHEMBL21293809 0.63 ADORA2A (0.48)
SCHEMBL22494304 0.62 MTOR (0.49)
SCHEMBL30382413 0.62 MTOR (0.49)
SCHEMBL22494285 0.62 MTOR (0.48)
SCHEMBL30382542 0.62 MTOR (0.48)
SCHEMBL11546474 0.61 TSHR (0.40) LMNAMAPTHTT
SCHEMBL22494305 0.57 MTOR (0.53)

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-20120122838-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF INFINITY PHARMACEUTICALS, INC. 2012-05-17 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-20120122838-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PIK3CA, PIK3CD, PIK3CB PDE8B 390/4885LMNA 1475/4885CTSL 2965/4885

“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.