SCHEMBL1226316

SCHEMBL1226316

Cc1c[c]nn1C[C@@H](O)CO

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CSNK2A1 P68400 1/20 0.33
KMT2A Q03164 1/20 0.31
KDM4E B2RXH2 2/20 0.31
CYP1A2 P05177 2/20 0.31
LMNA P02545 3/20 0.31
POLB P06746 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
HPGD P15428 1/20 0.31
MAPT P10636 1/20 0.31
ATM Q13315 1/20 0.31

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
SCHEMBL2099978 1.00 CSNK2A1 (0.33) CSNK2A1KMT2AKDM4ECYP1A2LMNA
SCHEMBL1226687 1.00 CSNK2A1 (0.33) CSNK2A1KMT2AKDM4ECYP1A2LMNA
SCHEMBL2099315 0.81 LMNA (0.32) CSNK2A1KDM4ELMNAPOLBSMN1; SMN2
SCHEMBL1225808 0.81 KMT2A (0.38) KMT2AKDM4ECYP1A2LMNASMN1; SMN2
SCHEMBL1464170 0.81 KMT2A (0.38) KMT2AKDM4ECYP1A2LMNASMN1; SMN2
SCHEMBL22516955 0.69 MAPK1 (0.46) CSNK2A1KDM4ECYP1A2LMNACYP3A4
SCHEMBL16018353 0.65 KDM4E (0.39) CSNK2A1KMT2AKDM4ECYP1A2LMNA
SCHEMBL21550306 0.65 KDM4E (0.39) CSNK2A1KMT2AKDM4ECYP1A2LMNA
SCHEMBL15498265 0.65 KDM4E (0.39) CSNK2A1KMT2AKDM4ECYP1A2LMNA
SCHEMBL1359083 0.63 MAP2K1 (0.35) CSNK2A1KDM4ECYP1A2LMNAPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8163929-B2 Dihydropyridone amides as P2X7 modulators ROCHE PALO ALTO LLC (US) 2012-04-24 US claimed
US-8871760-B2 [1,2,4]triazolo[3,4-C][1,4]oxazines as P2X7 modulators ROCHE PALO ALTO LLC (US) 2014-10-28 US disclosed
US-8435990-B2 Dihydropyrimidone amides as P2X7 modulators ROCHE PALO ALTO LLC (US) 2013-05-07 US disclosed
EP-2480545-A1 FUSED TRIAZOLE AMINES AS P2X7 MODULATORS F. Hoffmann-La Roche AG (CH) 2012-08-01 EP disclosed
EP-2459541-A1 DIHYDROPYRIMIDONE AMIDES AS P2X7 MODULATORS F. Hoffmann-La Roche AG (CH) 2012-06-06 EP disclosed
US-8163929-B2 Dihydropyridone amides as P2X7 modulators ROCHE PALO ALTO LLC (US) 2012-04-24 US disclosed
EP-2382202-A1 DIHYDROPYRIDONE AMIDES AS P2X7 MODULATORS F. Hoffmann-La Roche AG (CH) 2011-11-02 EP disclosed
WO-2011033055-A1 FUSED TRIAZOLE AMINES AS P2X7 MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2011-03-24 WO disclosed
US-20110071143-A1 FUSED TRIAZOLE AMINES AS P2X7 MODULATORS BROTHERTON-PLEISS CHRISTINE E 2011-03-24 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-2010072607-A1 DIHYDROPYRIDONE AMIDES AS P2X7 MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2010-07-01 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-20110028502-A1 DIHYDROPYRIMIDONE AMIDES AS P2X7 MODULATORS P2RY1, P2RX7, P2RX3 CSNK2A1 2853/4885KMT2A 3668/4885KDM4E 2728/4885
US-20110071143-A1 FUSED TRIAZOLE AMINES AS P2X7 MODULATORS P2RX3, P2RX7, P2RX1 CSNK2A1 2189/4885KMT2A 3435/4885KDM4E 3324/4885

“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.