SCHEMBL9932908

SCHEMBL9932908

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

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDR P35968 9/20 0.48
PTK2 Q05397 9/20 0.48
PLK1 P53350 6/20 0.48
AURKB Q96GD4 5/20 0.48
AKT1 P31749 2/20 0.48
SMO Q99835 3/20 0.46
HCAR2 Q8TDS4 1/20 0.45
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
CYP3A4 P08684 1/20 0.44
ACHE P22303 1/20 0.43
METAP2 P50579 1/20 0.43
METAP1 P53582 1/20 0.43
ALDH1A1 P00352 1/20 0.42

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
SCHEMBL9932332 0.88 ACHE (0.49) KDRPTK2PLK1AURKBAKT1
SCHEMBL9932871 0.88 KDR (0.48) KDRPTK2PLK1AURKBAKT1
SCHEMBL9931983 0.83 KMT2A (0.46) KDRPTK2PLK1AURKBAKT1
SCHEMBL9931706 0.81 SMO (0.63) SMOHCAR2KMT2AMEN1ALDH1A1
SCHEMBL9932994 0.80 MEN1 (0.46) SMOKMT2AMEN1CYP3A4ALDH1A1
SCHEMBL9932137 0.80 LMNA (0.51) KDRPTK2PLK1AURKBAKT1
SCHEMBL9932662 0.77 ITGB2 (0.44) SMOKMT2AMEN1CYP3A4ALDH1A1
SCHEMBL9932108 0.76 SMO (0.63) KDRPTK2PLK1AURKBAKT1
SCHEMBL9932562 0.74 SMO (0.49) SMOKMT2AMEN1CYP3A4ALDH1A1
SCHEMBL9932229 0.74 SMO (0.61) SMOKMT2AMEN1

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 KDR 1623/4885PTK2 3203/4885PLK1 1064/4885

“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.