SCHEMBL2075583

SCHEMBL2075583

CC(C)N1CCN(c2cc(N)ncn2)CC1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 7/20 0.46
HRH3 Q9Y5N1 2/20 0.42
AKT1 P31749 1/20 0.41
PIK3CA P42336 1/20 0.40
MTOR P42345 1/20 0.40
OGA O60502 1/20 0.40
HRH4 Q9H3N8 4/20 0.39
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
PKM P14618 1/20 0.38

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
SCHEMBL807737 0.81 HRH4 (0.59) HRH3HRH4KDM4EALDH1A1MAPT
SCHEMBL30579439 0.78 SMN1; SMN2 (0.50) AKT1HRH4
SCHEMBL807296 0.78 SMN1; SMN2 (0.50) AKT1HRH4
SCHEMBL19004851 0.78 AKT1 (0.47) AKT1HRH4
SCHEMBL5889085 0.77 SMN1; SMN2 (0.53) AKT1HRH4ALDH1A1
SCHEMBL2075530 0.77 KIT (0.48) LRRK2HRH3AKT1KDM4EALDH1A1
SCHEMBL4172255 0.75 GRIN2D (0.49) HRH3OGAHRH4KDM4EALDH1A1
SCHEMBL27743649 0.75 LRRK2 (0.42) LRRK2HRH3OGAHRH4
SCHEMBL5889086 0.74 MAP4K4 (0.54) LRRK2PIK3CAMTORKDM4EALDH1A1
SCHEMBL17623178 0.74 HRH4 (0.51) LRRK2HRH3AKT1HRH4ALDH1A1

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 7 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
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 LRRK2 1721/4885HRH3 8/4885AKT1 2682/4885

“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.