SCHEMBL3346154

SCHEMBL3346154

CCc1c(N)ccc2nc(C)ccc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.42
LMNA P02545 2/20 0.42
POLB P06746 2/20 0.42
CASP6 P55212 1/20 0.42
ALDH1A1 P00352 4/20 0.41
NCF1 P14598 1/20 0.41
CASP1 P29466 1/20 0.41
CASP7 P55210 1/20 0.41
HSD17B10 Q99714 1/20 0.41
NR4A2 P43354 1/20 0.38
ADORA2A P29274 1/20 0.37
ADORA1 P30542 1/20 0.37
CYP1A2 P05177 3/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
KMT2A Q03164 3/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36

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
SCHEMBL24207461 0.81 CYP2C19 (0.39) KDM4ELMNAALDH1A1CASP1CASP7
SCHEMBL20171418 0.80 KMT2A (0.46) KDM4ELMNAPOLBCASP6ALDH1A1
SCHEMBL6518079 0.77 KDM4E (0.47) KDM4ELMNAPOLBCASP6ALDH1A1
SCHEMBL7455519 0.77 KDM4E (0.47) KDM4ELMNAPOLBCASP6ALDH1A1
SCHEMBL24204706 0.75 LMNA (0.42) KDM4ELMNAPOLBCASP6ALDH1A1
SCHEMBL24204824 0.74 LMNA (0.44) KDM4ELMNAPOLBCASP6ALDH1A1
SCHEMBL24936489 0.74 KDM4E (0.48) KDM4ELMNAPOLBCASP6ALDH1A1
SCHEMBL4659301 0.74 KDM4E (0.44) KDM4ELMNAPOLBCASP6ALDH1A1
SCHEMBL8571925 0.73 ALDH1A1 (0.53) KDM4ELMNAPOLBCASP6ALDH1A1
SCHEMBL1464159 0.71 MAPT (0.59) KDM4ELMNAALDH1A1NCF1CASP1

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-8372865-B2 Dihydropyridone amides as P2X7 modulators ROCHE PALO ALTO LLC (US) 2013-02-12 US claimed
US-8435990-B2 Dihydropyrimidone amides as P2X7 modulators ROCHE PALO ALTO LLC (US) 2013-05-07 US disclosed
US-8372865-B2 Dihydropyridone amides as P2X7 modulators ROCHE PALO ALTO LLC (US) 2013-02-12 US disclosed
US-20110028502-A1 DIHYDROPYRIMIDONE AMIDES AS P2X7 MODULATORS BROTHERTON-PLEISS CHRISTINE E 2011-02-03 US disclosed
US-20100160373-A1 DIHYDROPYRIDONE AMIDES AS P2X7 MODULATORS ROCHE PALO ALTO LLC 2010-06-24 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 (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-20100160373-A1 DIHYDROPYRIDONE AMIDES AS P2X7 MODULATORS P2RY1, P2RX3, P2RX1 KDM4E 2703/4885LMNA 2695/4885POLB 4404/4885
US-20110028502-A1 DIHYDROPYRIMIDONE AMIDES AS P2X7 MODULATORS P2RY1, P2RX7, P2RX3 KDM4E 2728/4885LMNA 2432/4885POLB 4380/4885

“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.