SCHEMBL2074683

SCHEMBL2074683

CC(C)N1CCN(c2cc(NC(=O)c3ccc(F)cc3)ncn2)CC1

nearest known ligand 0.73

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.73
SMN1; SMN2 Q16637 2/20 0.73
ALDH1A1 P00352 2/20 0.73
EGFR P00533 2/20 0.71
ERBB3 P21860 2/20 0.71
NPC1 O15118 1/20 0.55
ATM Q13315 1/20 0.55
HTR1F P30939 2/20 0.48
DYRK1A Q13627 3/20 0.47
WNT1 P04628 2/20 0.47
GSK3B P49841 2/20 0.47
KDM4E B2RXH2 1/20 0.46
MAPK1 P28482 1/20 0.46

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
SCHEMBL2072590 0.86 RAB9A (0.54) RAB9ASMN1; SMN2ALDH1A1EGFRERBB3
SCHEMBL2072611 0.84 SMN1; SMN2 (0.73) RAB9ASMN1; SMN2ALDH1A1EGFRERBB3
SCHEMBL2075678 0.84 MAPK1 (0.53) RAB9ASMN1; SMN2ALDH1A1EGFRERBB3
SCHEMBL2075547 0.82 RAB9A (0.50) RAB9ASMN1; SMN2ALDH1A1EGFRERBB3
SCHEMBL2075244 0.81 RAB9A (0.74) RAB9ASMN1; SMN2ALDH1A1EGFRERBB3
SCHEMBL2076140 0.78 OGA (0.47) RAB9ASMN1; SMN2ALDH1A1EGFRERBB3
SCHEMBL2075468 0.77 EGFR (0.48) RAB9ASMN1; SMN2ALDH1A1EGFRERBB3
SCHEMBL2073745 0.77 SMN1; SMN2 (0.49) RAB9ASMN1; SMN2ALDH1A1EGFRERBB3
SCHEMBL2073083 0.76 SMN1; SMN2 (0.43) RAB9ASMN1; SMN2ALDH1A1EGFRERBB3
SCHEMBL2072595 0.76 EGFR (0.53) RAB9ASMN1; SMN2ALDH1A1EGFRERBB3

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

“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.