SCHEMBL2074498

SCHEMBL2074498

CC(C)CC(=O)Nc1cc(N2CCN(C3CCCC3)CC2)ncn1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 3/20 0.55
EGFR P00533 1/20 0.44
ERBB3 P21860 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.42
ALDH1A1 P00352 2/20 0.41
RAB9A P51151 1/20 0.41
KDM4E B2RXH2 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 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
ADORA2A P29274 1/20 0.38
ADORA1 P30542 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
SCHEMBL2072889 0.86 HRH4 (0.56) HRH4EGFRERBB3SMN1; SMN2ALDH1A1
SCHEMBL2075468 0.83 EGFR (0.48) HRH4EGFRERBB3SMN1; SMN2ALDH1A1
SCHEMBL2075159 0.83 HRH4 (0.55) HRH4EGFRERBB3SMN1; SMN2ALDH1A1
SCHEMBL2074651 0.82 HRH4 (0.53) HRH4EGFRERBB3SMN1; SMN2ALDH1A1
SCHEMBL2074070 0.82 HRH4 (0.56) HRH4EGFRERBB3SMN1; SMN2ALDH1A1
SCHEMBL2075554 0.81 HRH4 (0.56) HRH4EGFRERBB3SMN1; SMN2ALDH1A1
SCHEMBL2073202 0.80 HRH4 (0.58) HRH4EGFRERBB3SMN1; SMN2ALDH1A1
SCHEMBL2076138 0.80 HRH4 (0.54) HRH4EGFRERBB3SMN1; SMN2ALDH1A1
SCHEMBL2073950 0.80 HRH4 (0.57) HRH4EGFRERBB3SMN1; SMN2ALDH1A1
SCHEMBL2075546 0.79 HRH4 (0.52) HRH4SMN1; SMN2ALDH1A1RAB9ANPC1

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.