SCHEMBL3340150

SCHEMBL3340150

Cc1[c]c2cc(C(N)=O)c(C)nc2cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.51
NNMT P40261 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
ALDH1A1 P00352 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
POLB P06746 1/20 0.36
TDP1 Q9NUW8 2/20 0.36
IKBKB O14920 1/20 0.34
PARP1 P09874 3/20 0.34
TSHR P16473 1/20 0.34
SIRT3 Q9NTG7 1/20 0.33
GABRP O00591 1/20 0.33
GABRD O14764 1/20 0.33
GABRA1 P14867 1/20 0.33
GABRB1 P18505 1/20 0.33
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33
GABRA5 P31644 1/20 0.33
GABRA3 P34903 1/20 0.33

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
SCHEMBL3345725 0.77 KDM4E (0.47) KDM4ENNMTMEN1KMT2AALDH1A1
SCHEMBL3343146 0.74 GRM2 (0.41) NNMTGRM2
SCHEMBL28628579 0.71 SMN1; SMN2 (0.62) KDM4ENNMTSMN1; SMN2POLBTDP1
SCHEMBL31443745 0.70 IKBKB (0.67) KDM4ENNMTMEN1KMT2AALDH1A1
SCHEMBL22388 0.70 IKBKB (0.67) KDM4ENNMTMEN1KMT2AALDH1A1
SCHEMBL26741374 0.70 TSHR (0.65) KDM4ENNMTMEN1KMT2AALDH1A1
SCHEMBL3057880 0.69 KDM4E (0.55) KDM4ENNMTMEN1KMT2AALDH1A1
SCHEMBL3344491 0.69 GRM2 (0.40) GRM2
SCHEMBL6518076 0.68 KDM4E (0.47) KDM4ENNMTMEN1KMT2AALDH1A1
SCHEMBL5207869 0.67 KDM4E (0.56) KDM4ENNMTMEN1KMT2AALDH1A1

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 6 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
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-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 2703/4885NNMT 1341/4885MEN1 3230/4885
US-20110028502-A1 DIHYDROPYRIMIDONE AMIDES AS P2X7 MODULATORS P2RY1, P2RX7, P2RX3 KDM4E 2728/4885NNMT 1340/4885MEN1 2873/4885

“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.