SCHEMBL9968417

SCHEMBL9968417

C=C(C)N1CCN(c2cccc(-c3nc4ccccc4n3C)n2)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 1/20 0.44
METAP1 P53582 1/20 0.44
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
GRM2 Q14416 1/20 0.41
KDR P35968 6/20 0.40
PTK2 Q05397 6/20 0.40
CYP19A1 P11511 1/20 0.40
PLK1 P53350 3/20 0.40
AURKB Q96GD4 2/20 0.40
ALDH1A1 P00352 6/20 0.40
KDM4E B2RXH2 5/20 0.40
HPGD P15428 3/20 0.40
TP53 P04637 3/20 0.40
HSD17B10 Q99714 3/20 0.40
CYP3A4 P08684 2/20 0.40
MAPK1 P28482 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
ALOX15 P16050 2/20 0.39
BRCA1 P38398 1/20 0.39

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
SCHEMBL9932520 0.88 MEN1 (0.48) METAP2METAP1MEN1KMT2AKDR
SCHEMBL9968419 0.83 MEN1 (0.41) METAP2METAP1MEN1KMT2AALDH1A1
SCHEMBL9931983 0.83 KMT2A (0.46) METAP2METAP1MEN1KMT2AKDR
SCHEMBL9931365 0.83 ALDH1A1 (0.48) METAP2METAP1MEN1KMT2AKDR
SCHEMBL9968327 0.81 MEN1 (0.48) METAP2METAP1MEN1KMT2AGRM2
SCHEMBL1533907 0.81 HTR3A (0.49) METAP2METAP1MEN1KMT2AKDR
SCHEMBL9968418 0.80 HSD11B1 (0.47) METAP2METAP1MEN1KMT2AGRM2
SCHEMBL9932110 0.79 HSD11B1 (0.48) METAP2METAP1MEN1KMT2AGRM2
SCHEMBL12841343 0.79 METAP2 (0.44) METAP2METAP1MEN1KMT2AGRM2
SCHEMBL9968300 0.76 SMO (0.47) MEN1KMT2ASMO

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120157471-A1 BENZIMIDAZOLE DERIVATIVES PFIZER INC. (US) 2012-06-21 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-20120157471-A1 BENZIMIDAZOLE DERIVATIVES SMO, RB1, GLI1 METAP2 4661/4885METAP1 4335/4885MEN1 1168/4885

“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.