SCHEMBL5020148

SCHEMBL5020148

Ic1cccc(-c2cnn[nH]2)c1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 1/20 0.46
CHRNB4 P30926 1/20 0.38
CHRNA3 P32297 1/20 0.38
TNIK Q9UKE5 1/20 0.36
APP P05067 2/20 0.33
NOTUM Q6P988 1/20 0.33
IDO1 P14902 3/20 0.32
NOS1 P29475 1/20 0.32
GALR1 P47211 1/20 0.31
MAPK13 O15264 1/20 0.31
MAPK12 P53778 1/20 0.31
MAPK11 Q15759 1/20 0.31
MAPK14 Q16539 1/20 0.31

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
SCHEMBL5020146 0.78 HSD17B1 (0.48) METAP2
SCHEMBL30171029 0.78 IDO1 (0.54) NOTUMIDO1
SCHEMBL8780977 0.78 NOTUM (0.33) NOTUMIDO1
SCHEMBL5020277 0.78 IDO1 (0.46) METAP2NOTUMIDO1
SCHEMBL5020152 0.78 MAP4K4 (0.47) METAP2
SCHEMBL1822901 0.78 NOTUM (0.33) NOTUMIDO1
SCHEMBL5020151 0.78 IDO1 (0.46) METAP2IDO1
SCHEMBL5020208 0.76 METAP2 (0.39) METAP2TNIKNOS1
SCHEMBL10018 0.76 SCN4A (0.46) IDO1
SCHEMBL23150465 0.74 IDO1 (0.40) NOTUMIDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3483147-A1 METALLOENZYME INHIBITOR COMPOUNDS Innocrin Pharmaceuticals, Inc. (US) 2019-05-15 EP disclosed
US-20180221364-A1 METALLOENZYME INHIBITOR COMPOUNDS INNOCRIN PHARMACEUTICALS, INC. 2018-08-09 US disclosed
US-20170143694-A1 METALLOENZYME INHIBITOR COMPOUNDS INNOCRIN PHARMACEUTICALS, INC. 2017-05-25 US disclosed
US-20170143694-A1 METALLOENZYME INHIBITOR COMPOUNDS INNOCRIN PHARMACEUTICALS, INC. 2017-05-25 US disclosed
US-20140121248-A1 METALLOENZYME INHIBITOR COMPOUNDS VIAMET PHARMACEUTICALS, INC. (US) 2014-05-01 US disclosed
US-20140121248-A1 METALLOENZYME INHIBITOR COMPOUNDS VIAMET PHARMACEUTICALS, INC. (US) 2014-05-01 US disclosed
US-8623892-B2 Metalloenzyme inhibitor compounds VIAMET PHARMACEUTICALS, INC. (US) 2014-01-07 US disclosed
US-8623892-B2 Metalloenzyme inhibitor compounds VIAMET PHARMACEUTICALS, INC. (US) 2014-01-07 US disclosed
US-20130184309-A1 METALLOENZYME INHIBITOR COMPOUNDS VIAMET PHARMACEUTICALS, INC. (US) 2013-07-18 US disclosed
US-20130184309-A1 METALLOENZYME INHIBITOR COMPOUNDS VIAMET PHARMACEUTICALS, INC. (US) 2013-07-18 US disclosed
US-8389543-B2 Metalloenzyme inhibitor compounds VIAMET PHARMACEUTICALS, INC. (US) 2013-03-05 US disclosed
US-8389543-B2 Metalloenzyme inhibitor compounds VIAMET PHARMACEUTICALS, INC. (US) 2013-03-05 US disclosed
US-20120129886-A1 METALLOENZYME INHIBITOR COMPOUNDS VIAMET PHARMACEUTICALS, INC. (US) 2012-05-24 US disclosed
US-20120129886-A1 METALLOENZYME INHIBITOR COMPOUNDS VIAMET PHARMACEUTICALS, INC. (US) 2012-05-24 US disclosed
WO-2012064943-A2 METALLOENZYME INHIBITOR COMPOUNDS VIAMET PHARMACEUTICALS, INC. (US) 2012-05-18 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 (5 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-20140121248-A1 METALLOENZYME INHIBITOR COMPOUNDS MMEL1, GPX1, MPO METAP2 60/4885CHRNB4 4475/4885CHRNA3 4085/4885
US-20180221364-A1 METALLOENZYME INHIBITOR COMPOUNDS MMEL1, GPX1, MPO METAP2 60/4885CHRNB4 4475/4885CHRNA3 4085/4885
US-20130184309-A1 METALLOENZYME INHIBITOR COMPOUNDS MMEL1, GPX1, MPO METAP2 60/4885CHRNB4 4475/4885CHRNA3 4085/4885
US-20170143694-A1 METALLOENZYME INHIBITOR COMPOUNDS MMEL1, GPX1, MPO METAP2 60/4885CHRNB4 4475/4885CHRNA3 4085/4885
US-20120129886-A1 METALLOENZYME INHIBITOR COMPOUNDS MMEL1, GPX1, MPO METAP2 60/4885CHRNB4 4475/4885CHRNA3 4085/4885

“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.