SCHEMBL2073083

SCHEMBL2073083

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.43
ALDH1A1 P00352 3/20 0.41
RAB9A P51151 2/20 0.41
NPC1 O15118 1/20 0.41
ATM Q13315 1/20 0.41
KDM4E B2RXH2 2/20 0.41
MEN1 O00255 1/20 0.41
USP2 O75604 1/20 0.41
KMT2A Q03164 1/20 0.41
EGFR P00533 2/20 0.40
ERBB3 P21860 2/20 0.40
GAA P10253 1/20 0.39
HTT P42858 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
WNT1 P04628 2/20 0.38
GSK3B P49841 2/20 0.38
DYRK1A Q13627 2/20 0.38
KIT P10721 1/20 0.38
HRH4 Q9H3N8 1/20 0.38
HRH3 Q9Y5N1 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
SCHEMBL2073186 0.86 KIT (0.51) SMN1; SMN2ALDH1A1RAB9ANPC1ATM
SCHEMBL2075678 0.82 MAPK1 (0.53) SMN1; SMN2ALDH1A1RAB9AEGFRERBB3
SCHEMBL2076297 0.81 SMN1; SMN2 (0.41) SMN1; SMN2ALDH1A1RAB9ANPC1ATM
SCHEMBL2076011 0.81 LMNA (0.48) SMN1; SMN2ALDH1A1RAB9ANPC1ATM
SCHEMBL2072713 0.80 HTR4 (0.41) SMN1; SMN2ALDH1A1RAB9ANPC1ATM
SCHEMBL2072590 0.80 RAB9A (0.54) SMN1; SMN2ALDH1A1RAB9ANPC1KDM4E
SCHEMBL2073745 0.80 SMN1; SMN2 (0.49) SMN1; SMN2ALDH1A1RAB9ANPC1ATM
SCHEMBL2075468 0.80 EGFR (0.48) SMN1; SMN2ALDH1A1RAB9ANPC1ATM
SCHEMBL2074803 0.79 MAPK1 (0.48) SMN1; SMN2ALDH1A1RAB9ANPC1ATM
SCHEMBL2072595 0.79 EGFR (0.53) SMN1; SMN2ALDH1A1RAB9ANPC1ATM

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 4 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
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 SMN1; SMN2 4105/4885ALDH1A1 1692/4885RAB9A 1046/4885

“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.