SCHEMBL9932265

SCHEMBL9932265

Cn1c(-c2cc(N3CCN(c4ccnc(-c5nc6ccccc6n5C)c4)CC3)ccn2)nc2ccccc21

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 9/20 0.54
PTK2 Q05397 9/20 0.54
PLK1 P53350 6/20 0.50
METAP2 P50579 1/20 0.50
METAP1 P53582 1/20 0.50
CYP19A1 P11511 1/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
AURKB Q96GD4 5/20 0.46
AKT1 P31749 2/20 0.46
GRM2 Q14416 1/20 0.46
KDM4E B2RXH2 4/20 0.46
OPRM1 P35372 1/20 0.46
OPRD1 P41143 1/20 0.46
HRH4 Q9H3N8 1/20 0.44
ALDH1A1 P00352 3/20 0.44
GAA P10253 3/20 0.44
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.44
HPGD P15428 1/20 0.44

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
SCHEMBL13239249 0.83 KDR (0.58) KDRPTK2PLK1METAP2METAP1
SCHEMBL14764766 0.79 KDR (0.61) KDRPTK2PLK1METAP2METAP1
SCHEMBL172248 0.76 CYP19A1 (0.61) KDRPTK2PLK1METAP2METAP1
SCHEMBL9932266 0.76 MEN1 (0.58) KDRPTK2PLK1METAP2METAP1
SCHEMBL29520302 0.74 KDR (0.63) KDRPTK2PLK1METAP2METAP1
SCHEMBL13033399 0.72 SMO (0.47) GRM2KDM4EOPRM1OPRD1HRH4
SCHEMBL1171430 0.72 MEN1 (0.69) METAP2METAP1MEN1KMT2AKDM4E
SCHEMBL4814275 0.71 CYP19A1 (0.56) KDRPTK2PLK1METAP2METAP1
Hydrochloric Acid SCHEMBL7175864 0.71 MEN1 (0.60) KDRPTK2PLK1METAP2METAP1
Hydrochloric Acid SCHEMBL7174476 0.71 MEN1 (0.60) KDRPTK2PLK1METAP2METAP1

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 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.