SCHEMBL2125396

SCHEMBL2125396

O=C(O)NC1CCN(c2nnc(Cl)c3ccccc23)CC1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.55
KMT2A Q03164 4/20 0.55
GFER P55789 1/20 0.55
PKM P14618 1/20 0.47
TSHR P16473 1/20 0.47
HTT P42858 2/20 0.42
NPSR1 Q6W5P4 2/20 0.42
PAK1 Q13153 3/20 0.42
P2RY12 Q9H244 1/20 0.41
HPGD P15428 1/20 0.41
SMO Q99835 3/20 0.40
ALDH1A1 P00352 1/20 0.40
POLB P06746 1/20 0.40
SLC6A12 P48065 1/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
MAPK1 P28482 1/20 0.40
DRD4 P21917 1/20 0.40

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
SCHEMBL17698998 0.84 ALDH1A1 (0.53) MEN1KMT2APKMTSHRHTT
SCHEMBL3779464 0.82 CKS1B (0.53) MEN1KMT2AGFERPKMTSHR
SCHEMBL16162195 0.81 MEN1 (0.51) MEN1KMT2AGFERPKMTSHR
Hydrochloric Acid SCHEMBL1268228 0.80 KMT2A (0.59) MEN1KMT2AGFERPKMTSHR
SCHEMBL16269253 0.79 HTR1A (0.44) MEN1KMT2AGFERPKMTSHR
SCHEMBL9310951 0.79 KMT2A (0.66) MEN1KMT2AGFERPKMTSHR
SCHEMBL3205743 0.79 KMT2A (0.46) MEN1KMT2APAK1DRD4
SCHEMBL15662150 0.78 MEN1 (0.47) MEN1KMT2AGFERPKMTSHR
SCHEMBL16269780 0.77 MEN1 (0.52) MEN1KMT2AGFERPKMTSHR
SCHEMBL1267034 0.77 MEN1 (0.52) MEN1KMT2AGFERPKMTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9579319-B2 Heterocyclic compounds as hedgehog signaling pathway inhibitors REDX PHARMA PLC (GB) 2017-02-28 US disclosed
US-20160113928-A1 HETEROCYCLIC COMPOUNDS AS HEDGEHOG SIGNALING PATHWAY INHIBITORS REDX PHARMA PLC (GB) 2016-04-28 US disclosed
US-9000023-B2 Disubstituted phthalazine hedgehog pathway antagonists ELI LILLY AND COMPANY (US) 2015-04-07 US disclosed
WO-2014191736-A1 HETEROCYCLIC COMPOUNDS AS HEDGEHOG SIGNALING PATHWAY INHIBITORS REDX PHARMA LIMITED (GB) 2014-12-04 WO disclosed
EP-2356108-B1 CARBAMATE DERIVATIVES OF ALKYL-HETEROCYCLES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI SA (FR) 2014-10-15 EP disclosed
EP-2443104-B1 DISUBSTITUTED PHTHALAZINE HEDGEHOG PATHWAY ANTAGONISTS LILLY CO ELI (US) 2013-04-17 EP disclosed
US-20120316174-A1 DISUBSTITUTED PHTHALAZINE HEDGEHOG PATHWAY ANTAGONISTS ELI LILLY AND COMPANY (US) 2012-12-13 US disclosed
US-8273742-B2 Disubstituted phthalazine hedgehog pathway antagonists ELI LILLY AND COMPANY (US) 2012-09-25 US disclosed
EP-2443104-A1 DISUBSTITUTED PHTHALAZINE HEDGEHOG PATHWAY ANTAGONISTS Eli Lilly and Company (US) 2012-04-25 EP disclosed
EP-2356108-A1 CARBAMATE DERIVATIVES OF ALKYL-HETEROCYCLES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI (FR) 2011-08-17 EP disclosed
US-20100324048-A1 DISUBSTITUTED PHTHALAZINE HEDGEHOG PATHWAY ANTAGONISTS ELI LILLY AND COMPANY (US) 2010-12-23 US disclosed
WO-2010147917-A1 DISUBSTITUTED PHTHALAZINE HEDGEHOG PATHWAY ANTAGONISTS ELI LILLY AND COMPANY (US) 2010-12-23 WO disclosed
WO-2010055267-A1 CARBAMATE DERIVATIVES OF ALKYL-HETEROCYCLES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2010-05-20 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 (3 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-20100324048-A1 DISUBSTITUTED PHTHALAZINE HEDGEHOG PATHWAY ANTAGONISTS SHH, GLI1, SMO MEN1 2224/4885KMT2A 590/4885GFER 4314/4885
US-20160113928-A1 HETEROCYCLIC COMPOUNDS AS HEDGEHOG SIGNALING PATHWAY INHIBITORS SMO, SHH, GLI1 MEN1 467/4885KMT2A 708/4885GFER 2624/4885
US-20120316174-A1 DISUBSTITUTED PHTHALAZINE HEDGEHOG PATHWAY ANTAGONISTS SHH, GLI1, SMO MEN1 2224/4885KMT2A 590/4885GFER 4314/4885

“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.