SCHEMBL3089615

SCHEMBL3089615

NCc1c(-c2ccc(F)cc2Cl)ncn1Cc1cccc(Cl)c1Cl

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 6/20 0.42
PNMT P11086 1/20 0.39
QPCTL Q9NXS2 1/20 0.37
KDM4C Q9H3R0 2/20 0.37
PHF8 Q9UPP1 1/20 0.36
PIK3CD O00329 1/20 0.35
PIK3CA P42336 1/20 0.35
PIK3CB P42338 1/20 0.35
PIK3CG P48736 1/20 0.35
HSD11B1 P28845 1/20 0.35
DBH P09172 1/20 0.35
DPP4 P27487 4/20 0.35
TAAR1 Q96RJ0 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
SCHEMBL3604333 0.91 KDM4C (0.44) P2RX7PNMTKDM4CPHF8HSD11B1
SCHEMBL3103130 0.89 DPP4 (0.45) P2RX7PNMTQPCTLPIK3CDPIK3CA
SCHEMBL3092256 0.88 CNR1 (0.39) KDM4CHSD11B1DPP4
SCHEMBL3095151 0.87 ACP1 (0.41) P2RX7HSD11B1DPP4
SCHEMBL3078422 0.87 ALDH1A1 (0.38) P2RX7KDM4CDPP4
SCHEMBL3092637 0.86 P2RX7 (0.41) P2RX7KDM4CPIK3CDHSD11B1DPP4
SCHEMBL3089159 0.85 CNR1 (0.40) P2RX7DPP4
SCHEMBL3096196 0.85 CNR1 (0.36) P2RX7DPP4
SCHEMBL3598278 0.84 TSHR (0.42) DPP4TAAR1
SCHEMBL3595937 0.84 CDK9 (0.46)

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7728146-B2 Enzyme inhibitors PROBIODRUG AG (DE) 2010-06-01 US claimed
US-20100234397-A1 ENZYME INHIBITORS PROBIODRUG AG (DE) 2010-09-16 US disclosed
US-20100234397-A1 ENZYME INHIBITORS PROBIODRUG AG (DE) 2010-09-16 US disclosed
US-20100234397-A1 ENZYME INHIBITORS PROBIODRUG AG (DE) 2010-09-16 US disclosed
US-7728146-B2 Enzyme inhibitors PROBIODRUG AG (DE) 2010-06-01 US disclosed
US-7728146-B2 Enzyme inhibitors PROBIODRUG AG (DE) 2010-06-01 US disclosed
US-20070244177-A1 ENZYME INHIBITORS PROBIODRUG AG (DE) 2007-10-18 US disclosed
US-20070244177-A1 ENZYME INHIBITORS PROBIODRUG AG (DE) 2007-10-18 US disclosed
WO-2007116092-A1 ENZYME INHIBITORS PROBIODRUG AG (DE) 2007-10-18 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 (2 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-20070244177-A1 ENZYME INHIBITORS ACHE, BACE1, MAOA P2RX7 2321/4885PNMT 621/4885QPCTL 2748/4885
US-20100234397-A1 ENZYME INHIBITORS ACHE, MAOA, BACE1 P2RX7 2025/4885PNMT 311/4885QPCTL 3034/4885

“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.