SCHEMBL2074665

SCHEMBL2074665

COc1ccc(C(=O)Nc2nccc(N3CCN(C(C)C)CC3)n2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.46
MAPT P10636 3/20 0.46
KMT2A Q03164 3/20 0.46
MEN1 O00255 1/20 0.46
RECQL P46063 1/20 0.46
CDKN1A P38936 1/20 0.46
CCNC P24863 1/20 0.46
CDK8 P49336 1/20 0.46
OGA O60502 1/20 0.46
ALDH1A1 P00352 4/20 0.44
RAB9A P51151 2/20 0.44
NPC1 O15118 1/20 0.44
HRH3 Q9Y5N1 1/20 0.44
HDAC2 Q92769 1/20 0.44
NR4A1 P22736 1/20 0.43
MCL1 Q07820 1/20 0.43
LMNA P02545 1/20 0.43
SCN9A Q15858 1/20 0.43
F2 P00734 1/20 0.43
ALOX15 P16050 1/20 0.43

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
SCHEMBL2076140 0.87 OGA (0.47) OGAALDH1A1RAB9AHRH3HRH4
SCHEMBL2075739 0.82 KMT2A (0.54) KDM4EMAPTKMT2AMEN1RECQL
SCHEMBL30576143 0.81 DYRK1A (0.54) KDM4EMAPTKMT2AMEN1ALDH1A1
SCHEMBL2073765 0.77 HRH4 (0.50) MAPTOGAALDH1A1HRH3HRH4
SCHEMBL2072892 0.76 OGA (0.48) MAPTOGAHRH3HRH4
SCHEMBL2075511 0.75 HRH4 (0.48) KDM4EOGAALDH1A1HRH3HRH4
SCHEMBL30345393 0.74 KDM4E (0.59) KDM4EMAPTKMT2AMEN1RECQL
SCHEMBL2074448 0.74 IDH1 (0.48) KDM4EOGAALDH1A1LMNAHRH4
SCHEMBL4197090 0.70 HRH3 (0.46) OGAHRH3HRH4
SCHEMBL17675491 0.70 KDM4E (0.54) KDM4EMAPTKMT2AMEN1RECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7902184-B2 Piperazinyl pyrimidine derivatives HOFFMANN-LA ROCHE INC. (US) 2011-03-08 US disclosed
EP-2032554-A1 PIPERIDINYL PYRIMIDINE DERIVATIVES F. Hoffmann-Roche AG (CH) 2009-03-11 EP disclosed
WO-2007137955-A1 PIPERIDINYL PYRIMIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-12-06 WO disclosed
US-20070281921-A1 Piperidinyl pyrimidine derivatives HOFFMAN-LA ROCHE INC. 2007-12-06 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 (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-20070281921-A1 Piperidinyl pyrimidine derivatives HRH2, P2RX5, P2RX3 KDM4E 1636/4885MAPT 4288/4885KMT2A 1101/4885

“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.