SCHEMBL1921402

SCHEMBL1921402

Cc1ccc(N2C(=O)c3ccccc3C2=O)nc1-c1ccccn1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.48
ALDH1A1 P00352 4/20 0.48
GAA P10253 2/20 0.48
SMN1; SMN2 Q16637 3/20 0.46
NPC1 O15118 2/20 0.45
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
PKM P14618 2/20 0.40
MAPT P10636 2/20 0.39
CASP1 P29466 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
HPGD P15428 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
MITF O75030 1/20 0.39
RAB9A P51151 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
SMO Q99835 2/20 0.38

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
SCHEMBL27510936 0.74 MEN1 (0.49) KDM4EALDH1A1GAASMN1; SMN2MEN1
SCHEMBL1921684 0.73 MEN1 (0.47) KDM4EALDH1A1GAASMN1; SMN2MEN1
SCHEMBL16237909 0.73 MEN1 (0.47) KDM4EALDH1A1GAASMN1; SMN2MEN1
SCHEMBL30817653 0.73 ALDH1A1 (0.73) KDM4EALDH1A1GAASMN1; SMN2NPC1
SCHEMBL30817652 0.73 ALDH1A1 (0.73) KDM4EALDH1A1GAASMN1; SMN2NPC1
SCHEMBL7479419 0.73 ALDH1A1 (0.73) KDM4EALDH1A1GAASMN1; SMN2NPC1
SCHEMBL10961048 0.72 KDM4E (0.59) KDM4EALDH1A1GAASMN1; SMN2NPC1
SCHEMBL8078940 0.72 HTT (0.57) KDM4EALDH1A1GAASMN1; SMN2MEN1
SCHEMBL28446941 0.69 KDM4E (0.56) KDM4EALDH1A1GAASMN1; SMN2NPC1
SCHEMBL1922002 0.69 KDM4E (0.56) KDM4EALDH1A1SMN1; SMN2NPC1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2328871-B1 HEDGEHOG PATHWAY MODULATORS NOVARTIS AG (CH) 2020-04-01 EP disclosed
US-9216964-B2 Hedgehog pathway modulators NOVARTIS AG (CH) 2015-12-22 US disclosed
US-9216964-B2 Hedgehog pathway modulators NOVARTIS AG (CH) 2015-12-22 US disclosed
US-9216964-B2 Hedgehog pathway modulators NOVARTIS AG (CH) 2015-12-22 US disclosed
US-20130296333-A1 HEDGEHOG PATHWAY MODULATORS IRM LLC (BM) 2013-11-07 US disclosed
US-20130296333-A1 HEDGEHOG PATHWAY MODULATORS IRM LLC (BM) 2013-11-07 US disclosed
US-20130296333-A1 HEDGEHOG PATHWAY MODULATORS IRM LLC (BM) 2013-11-07 US disclosed
US-8507491-B2 Compounds and compositions as hedgehog pathway inhibitors IRM LLC (BM) 2013-08-13 US disclosed
US-8507491-B2 Compounds and compositions as hedgehog pathway inhibitors IRM LLC (BM) 2013-08-13 US disclosed
US-8507491-B2 Compounds and compositions as hedgehog pathway inhibitors IRM LLC (BM) 2013-08-13 US disclosed
US-20110152282-A1 HEDGEHOG PATHWAY MODULATORS IRM LLC (BM) 2011-06-23 US disclosed
US-20110152282-A1 HEDGEHOG PATHWAY MODULATORS IRM LLC (BM) 2011-06-23 US disclosed
US-20110152282-A1 HEDGEHOG PATHWAY MODULATORS IRM LLC (BM) 2011-06-23 US disclosed
EP-2328871-A2 HEDGEHOG PATHWAY MODULATORS IRM LLC (BM) 2011-06-08 EP disclosed
WO-2010027746-A2 HEDGEHOG PATHWAY MODULATORS IRM LLC (BM) 2010-03-11 WO disclosed
WO-2010027746-A2 HEDGEHOG PATHWAY MODULATORS IRM LLC (BM) 2010-03-11 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 (2 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-20130296333-A1 HEDGEHOG PATHWAY MODULATORS GLI1, SHH, SMO KDM4E 789/4885ALDH1A1 2253/4885GAA 3014/4885
US-20110152282-A1 HEDGEHOG PATHWAY MODULATORS GLI1, SHH, SMO KDM4E 1145/4885ALDH1A1 2770/4885GAA 2793/4885

“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.