SCHEMBL4134698

SCHEMBL4134698

O=C(Cc1c(Cl)cccc1Cl)N1CCC(Nc2nc(-c3ccccc3)c3ccccc3n2)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.47
MEN1 O00255 2/20 0.47
DGAT1 O75907 1/20 0.46
MAPK8 P45983 8/20 0.44
MAPK9 P45984 8/20 0.44
JUN P05412 7/20 0.44
CDK2 P24941 7/20 0.44
MAPK10 P53779 5/20 0.44
KDM4E B2RXH2 4/20 0.43
ALDH1A1 P00352 4/20 0.43
CASP1 P29466 2/20 0.43
CASP7 P55210 2/20 0.43
HSD17B10 Q99714 1/20 0.43
SIGMAR1 Q99720 1/20 0.42
HPGD P15428 2/20 0.40
HTT P42858 2/20 0.40
MAPT P10636 1/20 0.40
NPY1R P25929 1/20 0.40
HIF1A Q16665 1/20 0.40
GLA P06280 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
SCHEMBL4134699 0.87 L3MBTL1 (0.48) KMT2AMEN1KDM4EALDH1A1CASP1
SCHEMBL4135859 0.85 TRPV1 (0.43) KMT2AMEN1MAPK8MAPK9JUN
SCHEMBL4135603 0.81 FASN (0.47) KMT2AMEN1MAPK8MAPK9MAPK10
SCHEMBL4151543 0.79 EPHX1 (0.51) KMT2AMEN1CDK2HPGDMAPT
SCHEMBL4150490 0.78 HRH3 (0.52) KMT2AMEN1MAPK8MAPK9JUN
SCHEMBL10330630 0.77 MAPT (0.51) KMT2AMEN1KDM4EALDH1A1HPGD
SCHEMBL4134718 0.75 WHR1 (0.48) KMT2AMEN1MAPK8MAPK9JUN
SCHEMBL22144608 0.75 NUDT1 (0.61) KMT2AMEN1KDM4EALDH1A1HPGD
SCHEMBL4450458 0.72 KMT2A (0.43) KMT2AMEN1DGAT1KDM4EALDH1A1
SCHEMBL4443102 0.72 PARP1 (0.44) KMT2AMEN1MAPK8MAPK9CDK2

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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101679308-A inhibitors of the hedgehog pathway EXELIXIS INC 2010-03-24 CN claimed
EP-2134695-A1 INHIBITORS OF THE HEDGEHOG PATHWAY Exelixis, Inc. (US) 2009-12-23 EP claimed
WO-2008112913-A1 INHIBITORS OF THE HEDGEHOG PATHWAY EXELIXIS, INC. (US) 2008-09-18 WO claimed
US-20140309184-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF OVARIAN CANCER UNIVERSITY OF SOUTH ALABAMA (US) 2014-10-16 US disclosed
US-20140309184-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF OVARIAN CANCER UNIVERSITY OF SOUTH ALABAMA (US) 2014-10-16 US disclosed
US-8796294-B2 Inhibitors of the hedgehog pathway EXELIXIS PATENT COMPANY LLC (US) 2014-08-05 US disclosed
US-8796294-B2 Inhibitors of the hedgehog pathway EXELIXIS PATENT COMPANY LLC (US) 2014-08-05 US disclosed
US-8796294-B2 Inhibitors of the hedgehog pathway EXELIXIS PATENT COMPANY LLC (US) 2014-08-05 US disclosed
US-8754092-B2 Inhibitors of the hedgehog pathway EXELIXIS PATENT COMPANY LLC (US) 2014-06-17 US disclosed
US-8754092-B2 Inhibitors of the hedgehog pathway EXELIXIS PATENT COMPANY LLC (US) 2014-06-17 US disclosed
US-8754092-B2 Inhibitors of the hedgehog pathway EXELIXIS PATENT COMPANY LLC (US) 2014-06-17 US disclosed
US-20120238570-A1 INHIBITORS OF THE HEDGEHOG PATHWAY EXELIXIS PATENT COMPANY LLC (US) 2012-09-20 US disclosed
US-20120238570-A1 INHIBITORS OF THE HEDGEHOG PATHWAY EXELIXIS PATENT COMPANY LLC (US) 2012-09-20 US disclosed
US-8222263-B2 Inhibitors of hedgehog pathway EXELIXIS PATENT COMPANY LLC (US) 2012-07-17 US disclosed
US-8222263-B2 Inhibitors of hedgehog pathway EXELIXIS PATENT COMPANY LLC (US) 2012-07-17 US disclosed
US-8222263-B2 Inhibitors of hedgehog pathway EXELIXIS PATENT COMPANY LLC (US) 2012-07-17 US disclosed
CN-101679308-A inhibitors of the hedgehog pathway EXELIXIS INC 2010-03-24 CN disclosed
US-20090105211-A1 INHIBITORS OF HEDGEHOG PATHWAY EXELIXIS, INC. (US) 2009-04-23 US disclosed
US-20090105211-A1 INHIBITORS OF HEDGEHOG PATHWAY EXELIXIS, INC. (US) 2009-04-23 US disclosed
US-20090105211-A1 INHIBITORS OF HEDGEHOG PATHWAY EXELIXIS, INC. (US) 2009-04-23 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 (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-20120238570-A1 INHIBITORS OF THE HEDGEHOG PATHWAY SHH, GLI1, SMO KMT2A 1451/4885MEN1 208/4885DGAT1 1683/4885
US-20090105211-A1 INHIBITORS OF HEDGEHOG PATHWAY SHH, GLI1, SMO KMT2A 1508/4885MEN1 377/4885DGAT1 1605/4885
US-20140309184-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF OVARIAN CANCER TP53, ANXA5, VHL KMT2A 892/4885MEN1 1627/4885DGAT1 1993/4885

“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.