SCHEMBL2072889

SCHEMBL2072889

CCCC(=O)Nc1cc(N2CCN(C3CCCC3)CC2)ncn1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 2/20 0.56
EGFR P00533 1/20 0.50
ERBB3 P21860 1/20 0.50
ALDH1A1 P00352 4/20 0.45
KDM4E B2RXH2 1/20 0.45
MAPT P10636 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.43
RAB9A P51151 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
OPRK1 P41145 1/20 0.41
CCNA2 P20248 1/20 0.40
CDK2 P24941 1/20 0.40
CCNA1 P78396 1/20 0.40
LMNA P02545 1/20 0.39
NPC1 O15118 1/20 0.39
ATM Q13315 1/20 0.39
P4HTM Q9NXG6 1/20 0.39
HRH3 Q9Y5N1 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
SCHEMBL2074498 0.86 HRH4 (0.55) HRH4EGFRERBB3ALDH1A1KDM4E
SCHEMBL2073950 0.85 HRH4 (0.57) HRH4EGFRERBB3ALDH1A1KDM4E
SCHEMBL2075554 0.84 HRH4 (0.56) HRH4EGFRERBB3ALDH1A1SMN1; SMN2
SCHEMBL2073202 0.83 HRH4 (0.58) HRH4EGFRERBB3ALDH1A1SMN1; SMN2
SCHEMBL2075159 0.83 HRH4 (0.55) HRH4EGFRERBB3ALDH1A1SMN1; SMN2
SCHEMBL2074651 0.83 HRH4 (0.53) HRH4EGFRERBB3ALDH1A1SMN1; SMN2
SCHEMBL2074070 0.82 HRH4 (0.56) HRH4EGFRERBB3ALDH1A1SMN1; SMN2
SCHEMBL4177530 0.81 MAPT (0.53) ALDH1A1KDM4EMAPTSMN1; SMN2RAB9A
SCHEMBL4190163 0.81 NPC1 (0.47) HRH4ALDH1A1KDM4EMAPTSMN1; SMN2
SCHEMBL2076138 0.81 HRH4 (0.54) HRH4EGFRERBB3ALDH1A1SMN1; SMN2

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 5 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
CN-101448820-A Piperidinyl pyrimidine derivatives HOFFMANN LA ROCHE (CH) 2009-06-03 CN 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 4/4885EGFR 1823/4885ERBB3 1256/4885

“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.