SCHEMBL1225883

SCHEMBL1225883

CN1C=C(C(=O)Cl)[C@H](c2ccc(F)cc2)NC1=O

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.49
ADRA1D P25100 4/20 0.41
ADRA1A P35348 4/20 0.41
ADRA1B P35368 4/20 0.41
TDP1 Q9NUW8 1/20 0.40
MMP13 P45452 3/20 0.39
MMP1 P03956 2/20 0.39
GAA P10253 1/20 0.37
MMP2 P08253 2/20 0.36
MMP3 P08254 1/20 0.36
MMP9 P14780 1/20 0.36
MAPT P10636 1/20 0.35
TP53 P04637 1/20 0.35
OPRK1 P41145 1/20 0.34
PAX8 Q06710 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
SCHEMBL1225559 0.87 P2RX7 (0.50) P2RX7ADRA1DADRA1AADRA1BTDP1
SCHEMBL1225931 0.87 P2RX7 (0.50) P2RX7ADRA1DADRA1AADRA1BTDP1
Hydrochloric Acid SCHEMBL1225887 0.86 P2RX7 (0.49) P2RX7ADRA1DADRA1AADRA1BTDP1
Hydrochloric Acid SCHEMBL1225886 0.86 P2RX7 (0.49) P2RX7ADRA1DADRA1AADRA1BTDP1
SCHEMBL1226658 0.80 P2RX7 (0.48) P2RX7GAAMAPT
SCHEMBL6518195 0.73 KMT2A (0.47) P2RX7TDP1
SCHEMBL6522385 0.73 KMT2A (0.47) P2RX7TDP1
SCHEMBL6518201 0.73 KMT2A (0.47) P2RX7TDP1
SCHEMBL7661275 0.72 ADRA1A (0.48) P2RX7ADRA1DADRA1AADRA1B
SCHEMBL12894940 0.72 P2RX7 (0.63) P2RX7ADRA1DADRA1AADRA1B

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-8435990-B2 Dihydropyrimidone amides as P2X7 modulators ROCHE PALO ALTO LLC (US) 2013-05-07 US disclosed
US-8435990-B2 Dihydropyrimidone amides as P2X7 modulators ROCHE PALO ALTO LLC (US) 2013-05-07 US disclosed
US-8435990-B2 Dihydropyrimidone amides as P2X7 modulators ROCHE PALO ALTO LLC (US) 2013-05-07 US disclosed
EP-2459541-A1 DIHYDROPYRIMIDONE AMIDES AS P2X7 MODULATORS F. Hoffmann-La Roche AG (CH) 2012-06-06 EP disclosed
US-20110028502-A1 DIHYDROPYRIMIDONE AMIDES AS P2X7 MODULATORS BROTHERTON-PLEISS CHRISTINE E 2011-02-03 US disclosed
US-20110028502-A1 DIHYDROPYRIMIDONE AMIDES AS P2X7 MODULATORS BROTHERTON-PLEISS CHRISTINE E 2011-02-03 US disclosed
US-20110028502-A1 DIHYDROPYRIMIDONE AMIDES AS P2X7 MODULATORS BROTHERTON-PLEISS CHRISTINE E 2011-02-03 US disclosed
WO-2011012592-A1 DIHYDROPYRIMIDONE AMIDES AS P2X7 MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2011-02-03 WO disclosed
WO-2011012592-A1 DIHYDROPYRIMIDONE AMIDES AS P2X7 MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2011-02-03 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-20110028502-A1 DIHYDROPYRIMIDONE AMIDES AS P2X7 MODULATORS P2RY1, P2RX7, P2RX3 P2RX7 2/4885ADRA1D 294/4885ADRA1A 308/4885

“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.