SCHEMBL9933853

SCHEMBL9933853

COC[C@@H](C)N1Cc2c(ccc(Cl)c2N)C1=O

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 1/20 0.32
HTR2C P28335 2/20 0.31
CYP3A4 P08684 1/20 0.31
DPP4 P27487 1/20 0.31
DPP8 Q6V1X1 1/20 0.31
CNR2 P34972 1/20 0.31
MEN1 O00255 1/20 0.30
MAPT P10636 1/20 0.30
KMT2A Q03164 1/20 0.30
F10 P00742 1/20 0.30
LMNA P02545 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
SCHEMBL9933420 0.84 MEN1 (0.32) MEN1KMT2A
SCHEMBL9934235 0.79 UGCG (0.39) PIK3CGHTR2CMEN1MAPTKMT2A
SCHEMBL9935368 0.79 UGCG (0.39) PIK3CGHTR2CMEN1MAPTKMT2A
SCHEMBL9933734 0.76 DPP4 (0.47) CYP3A4DPP4DPP8CNR2
SCHEMBL9973905 0.71 IDH1 (0.39) CNR2MEN1MAPTKMT2ALMNA
SCHEMBL9932906 0.70 S100A4 (0.40) MAPTKMT2ALMNA
SCHEMBL9933485 0.70 S100A4 (0.40) MAPTKMT2ALMNA
SCHEMBL4226020 0.66 P2RX3 (0.35) MEN1MAPTKMT2A
SCHEMBL31184230 0.65 PIK3CG (0.33) PIK3CGMEN1MAPTKMT2A
SCHEMBL31184309 0.65 PIK3CG (0.33) PIK3CGMEN1MAPTKMT2A

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-20120157494-A1 ISOINDOLYL COMPOUNDS HARRIS III RALPH NEW (US) 2012-06-21 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-20120157494-A1 ISOINDOLYL COMPOUNDS P2RX7, P2RX3, P2RX1 PIK3CG 1523/4885HTR2C 150/4885CYP3A4 442/4885

“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.