SCHEMBL4202025

SCHEMBL4202025

CCN1CCN(c2c[c]nc(C(N)=O)n2)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 2/20 0.39
▸ SYK P43405 1/20 0.35
▸ RAD52 P43351 4/20 0.35
▸ RECQL P46063 2/20 0.35
▸ BLM P54132 1/20 0.35
▸ KDM4E B2RXH2 4/20 0.35
▸ MAPT P10636 4/20 0.35
▸ GAA P10253 3/20 0.35
▸ SMN1; SMN2 Q16637 3/20 0.35
▸ GFER P55789 1/20 0.35
▸ PTPN11 Q06124 1/20 0.34
▸ KIT P10721 1/20 0.34
▸ ALDH1A1 P00352 3/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ KLK7 P49862 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ CHRNA7 P36544 1/20 0.33
▸ POLB P06746 2/20 0.33
▸ LMNA P02545 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
SCHEMBL4200272 0.76 HRH3 (0.43) HRH3GAAPTPN11
SCHEMBL4200506 0.75 HRH3 (0.42) HRH3KDM4EGAAPTPN11POLB
SCHEMBL2825602 0.70 HRH3 (0.45) HRH3SYKRAD52RECQLBLM
SCHEMBL2828056 0.67 OPRM1 (0.60) HRH3SYKKDM4EGAAKMT2A
SCHEMBL509749 0.67 SORD (0.56) HRH3RAD52RECQLBLMKDM4E
SCHEMBL27896130 0.66 HRH3 (0.45) HRH3RAD52KDM4EMAPTGAA
SCHEMBL3317526 0.65 PTPN11 (0.44) SYKRAD52RECQLBLMKDM4E
SCHEMBL15846431 0.65 KMT2A (0.43) KDM4EGAASMN1; SMN2KITALDH1A1
SCHEMBL5896965 0.64 HRH3 (0.43) HRH3RAD52KDM4EMAPTGAA
SCHEMBL4456976 0.64 PTPN11 (0.48) HRH3SYKRAD52RECQLBLM

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
EP-2032554-A1 PIPERIDINYL PYRIMIDINE DERIVATIVES F. Hoffmann-Roche AG (CH) 2009-03-11 — — EP claimed
WO-2007137955-A1 PIPERIDINYL PYRIMIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-12-06 — — WO claimed
US-20070281921-A1 Piperidinyl pyrimidine derivatives HOFFMAN-LA ROCHE INC. 2007-12-06 — — US claimed
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 HRH3 8/4885SYK 1383/4885RAD52 4411/4885

“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.

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