SCHEMBL9933109

SCHEMBL9933109

Cn1c(-c2cc(N3C[C@@H]4[C@@H](N)[C@@H]4C3)ncc2Cl)nc2ccccc21

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
PDE10A Q9Y233 12/20 0.42
PTPN11 Q06124 2/20 0.41
KDM4E B2RXH2 2/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
ALDH1A1 P00352 1/20 0.38
TP53 P04637 1/20 0.38
GAA P10253 1/20 0.38
PKM P14618 1/20 0.38
ALOX15 P16050 1/20 0.38
HSD17B10 Q99714 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MKNK1 Q9BUB5 1/20 0.37
MKNK2 Q9HBH9 1/20 0.37

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
SCHEMBL12841511 1.00 MEN1 (0.43) MEN1KMT2APDE10APTPN11KDM4E
SCHEMBL9933112 1.00 MEN1 (0.43) MEN1KMT2APDE10APTPN11KDM4E
SCHEMBL1533924 1.00 MEN1 (0.43) MEN1KMT2APDE10APTPN11KDM4E
SCHEMBL12841434 0.90 MEN1 (0.44) MEN1KMT2APDE10AKDM4ENPC1
SCHEMBL9968363 0.88 MEN1 (0.45) MEN1KMT2APDE10AKDM4ENPC1
SCHEMBL12841522 0.87 MEN1 (0.47) MEN1KMT2APDE10AKDM4ENPC1
SCHEMBL9968412 0.87 MEN1 (0.47) MEN1KMT2APDE10AKDM4ENPC1
SCHEMBL9932899 0.87 MEN1 (0.44) MEN1KMT2APDE10AKDM4ENPC1
SCHEMBL9932029 0.87 MEN1 (0.44) MEN1KMT2APDE10AKDM4ENPC1
SCHEMBL9931884 0.87 MEN1 (0.44) MEN1KMT2APDE10AKDM4ENPC1

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 3 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

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 MEN1 1168/4885KMT2A 310/4885PDE10A 1879/4885

“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.