SCHEMBL9932332

SCHEMBL9932332

CC(=O)N1CCN(c2nccc(-c3nc4ccccc4n3C)n2)CC1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ACHE P22303 4/20 0.49
KDR P35968 8/20 0.48
PTK2 Q05397 8/20 0.48
PLK1 P53350 5/20 0.48
AURKB Q96GD4 4/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
PIK3CD O00329 1/20 0.45
PIK3R1 P27986 1/20 0.45
PIK3CA P42336 1/20 0.45
PIK3CB P42338 1/20 0.45
PIK3CG P48736 1/20 0.45
AKT1 P31749 2/20 0.45
SMO Q99835 3/20 0.45
NCF1 P14598 1/20 0.44
SLC6A7 Q99884 1/20 0.43

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
SCHEMBL9932871 0.88 KDR (0.48) KDRPTK2PLK1AURKBMEN1
SCHEMBL9932908 0.88 KDR (0.48) ACHEKDRPTK2PLK1AURKB
SCHEMBL9932137 0.82 LMNA (0.51) KDRPTK2PLK1AURKBPIK3CD
SCHEMBL9932520 0.82 MEN1 (0.48) KDRPTK2MEN1KMT2APIK3CD
SCHEMBL9971186 0.80 SMO (0.48) ACHEMEN1KMT2APIK3CDPIK3R1
SCHEMBL9931835 0.80 SMO (0.61) ACHEMEN1KMT2APIK3CDPIK3R1
SCHEMBL9932291 0.79 MEN1 (0.48) MEN1KMT2ASMONCF1
SCHEMBL9932455 0.76 ITGB2 (0.49) MEN1KMT2ASMONCF1
SCHEMBL9932108 0.76 SMO (0.63) KDRPTK2PLK1AURKBAKT1
SCHEMBL13033515 0.74 SMO (0.58) MEN1KMT2ASMONCF1

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-20120157471-A1 BENZIMIDAZOLE DERIVATIVES PFIZER INC. (US) 2012-06-21 US disclosed
US-20120157471-A1 BENZIMIDAZOLE DERIVATIVES PFIZER INC. (US) 2012-06-21 US disclosed
US-20120157471-A1 BENZIMIDAZOLE DERIVATIVES PFIZER INC. (US) 2012-06-21 US disclosed
WO-2011027249-A2 BENZIMIDAZOLE DERIVATIVES PFIZER INC. (US) 2011-03-10 WO 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-20120157471-A1 BENZIMIDAZOLE DERIVATIVES SMO, RB1, GLI1 ACHE 2961/4885KDR 1623/4885PTK2 3203/4885

“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.