SCHEMBL2774985

SCHEMBL2774985

Cn1ncc(Cl)c1CC(=O)NCc1ccc(Cl)cc1Cl

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 14/20 1.00
ERCC1 P07992 3/20 0.53
ERCC4 Q92889 3/20 0.53
NPC1 O15118 2/20 0.52
RAB9A P51151 2/20 0.52
LMNA P02545 1/20 0.49
MAPT P10636 1/20 0.49
PKM P14618 1/20 0.49

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
SCHEMBL2775534 0.91 P2RX7 (1.00) P2RX7ERCC1ERCC4NPC1RAB9A
SCHEMBL2774977 0.90 P2RX7 (1.00) P2RX7ERCC1ERCC4NPC1RAB9A
SCHEMBL2775593 0.90 P2RX7 (1.00) P2RX7ERCC1ERCC4
SCHEMBL2775455 0.88 P2RX7 (0.85) P2RX7
SCHEMBL2774095 0.82 P2RX7 (1.00) P2RX7
SCHEMBL2777099 0.81 P2RX7 (1.00) P2RX7ERCC1ERCC4NPC1RAB9A
SCHEMBL2776441 0.80 P2RX7 (1.00) P2RX7
SCHEMBL2773323 0.79 P2RX7 (0.82) P2RX7
SCHEMBL2778200 0.75 P2RX7 (0.83) P2RX7
SCHEMBL17914676 0.74 ALDH1A1 (0.62) P2RX7ERCC1ERCC4NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100056595-A1 Pyrazole Derivatives as P2X7 Modulators GLAXO GROUP LIMITED (GB) 2010-03-04 US claimed
US-20100056595-A1 Pyrazole Derivatives as P2X7 Modulators GLAXO GROUP LIMITED (GB) 2010-03-04 US disclosed
US-20100056595-A1 Pyrazole Derivatives as P2X7 Modulators GLAXO GROUP LIMITED (GB) 2010-03-04 US disclosed
US-20100056595-A1 Pyrazole Derivatives as P2X7 Modulators GLAXO GROUP LIMITED (GB) 2010-03-04 US disclosed
WO-2008125600-A2 PYRAZOLE DERIVATIVES AS P2X7 MODULATORS GLAXO GROUP LIMITED (GB) 2008-10-23 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-20100056595-A1 Pyrazole Derivatives as P2X7 Modulators P2RX3, P2RX6, P2RX7 P2RX7 3/4885ERCC1 3358/4885ERCC4 3437/4885

“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.