SCHEMBL2075565

SCHEMBL2075565

Nc1cc(N2CCN(C3CCCC3)CC2)ncn1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HRH4 Q9H3N8 2/20 0.52
▸ HRH3 Q9Y5N1 4/20 0.46
▸ HRH1 P35367 1/20 0.46
▸ P4HTM Q9NXG6 1/20 0.43
▸ MAP4K4 O95819 1/20 0.42
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ BTK Q06187 1/20 0.40
▸ AKT1 P31749 1/20 0.40
▸ LRRK2 Q5S007 2/20 0.39
▸ RIPK1 Q13546 1/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ LMNA P02545 2/20 0.39
▸ HTT P42858 1/20 0.39
▸ HIF1A Q16665 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ ALOX15 P16050 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ GLA P06280 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39

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
SCHEMBL2076114 0.98 HRH4 (0.54) HRH4HRH3HRH1P4HTMMAP4K4
SCHEMBL20241721 0.83 PIK3CA (0.42) HRH4P4HTMAKT1LRRK2RIPK1
SCHEMBL5889170 0.82 LRRK2 (0.48) HRH4P4HTMMAP4K4BTKAKT1
SCHEMBL5889174 0.82 HRH4 (0.40) HRH4HRH3HRH1P4HTMMAP4K4
SCHEMBL19004851 0.79 AKT1 (0.47) HRH4MAP4K4BTKAKT1RIPK1
SCHEMBL807296 0.79 SMN1; SMN2 (0.50) HRH4MAP4K4BTKAKT1
SCHEMBL30579439 0.79 SMN1; SMN2 (0.50) HRH4MAP4K4BTKAKT1
SCHEMBL564552 0.78 HRH4 (0.50) HRH4HRH3HRH1P4HTMMEN1
SCHEMBL5889085 0.78 SMN1; SMN2 (0.53) HRH4MAP4K4KMT2AAKT1ALDH1A1
SCHEMBL565250 0.78 HRH4 (0.58) HRH4HRH3HRH1P4HTMMAP4K4

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 HRH4 4/4885HRH3 8/4885HRH1 11/4885

“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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