SCHEMBL2076320

SCHEMBL2076320

CCN1CCN(c2cc(NC(=O)OC(C)(C)C)ncn2)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIT P10721 7/20 0.48
HDAC3 O15379 2/20 0.46
ABL1 P00519 2/20 0.46
BCR P11274 2/20 0.46
HDAC4 P56524 2/20 0.46
HDAC1 Q13547 2/20 0.46
HDAC7 Q8WUI4 2/20 0.46
HDAC2 Q92769 2/20 0.46
HDAC10 Q969S8 2/20 0.46
HDAC11 Q96DB2 2/20 0.46
HDAC8 Q9BY41 2/20 0.46
HDAC6 Q9UBN7 2/20 0.46
HDAC9 Q9UKV0 2/20 0.46
HDAC5 Q9UQL6 2/20 0.46
HRH4 Q9H3N8 3/20 0.44
HRH3 Q9Y5N1 2/20 0.44
FLT3 P36888 2/20 0.43
HRH2 P25021 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
EGFR P00533 1/20 0.42

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
SCHEMBL29497116 0.79 KIF18A (0.52) HRH3
SCHEMBL24322378 0.79 KIF18A (0.52) HRH3
SCHEMBL21600806 0.79 HDAC1 (0.42) KITHDAC3ABL1BCRHDAC4
SCHEMBL2073004 0.79 KIT (0.49) KITHDAC3ABL1BCRHDAC4
SCHEMBL2075221 0.78 SMN1; SMN2 (0.51) KITHDAC3ABL1BCRHDAC4
SCHEMBL2075539 0.78 KIT (0.48) KITHDAC3ABL1BCRHDAC4
SCHEMBL2075163 0.78 SMN1; SMN2 (0.51) KITHDAC3ABL1BCRHDAC4
SCHEMBL2074203 0.76 MAPK1 (0.51) KITHDAC3ABL1BCRHDAC4
SCHEMBL30818703 0.76 GPR119 (0.44) KITHDAC3ABL1BCRHDAC4
SCHEMBL2073186 0.76 KIT (0.51) KITHDAC3ABL1BCRHDAC4

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 KIT 109/4885HDAC3 1158/4885ABL1 1227/4885

“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.