SCHEMBL521636

SCHEMBL521636

NC(=O)CN1CCc2ccc(N)cc2C1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.49
KMT2A Q03164 5/20 0.44
MEN1 O00255 4/20 0.44
ITGB3 P05106 2/20 0.41
ITGA2B P08514 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.39
ABCB1 P08183 2/20 0.39
ABCG2 Q9UNQ0 2/20 0.39
PRMT5 O14744 1/20 0.39
WDR77 Q9BQA1 1/20 0.39
ALDH1A1 P00352 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
BRD4 O60885 1/20 0.39
ATAD2 Q6PL18 1/20 0.39
HSD17B3 P37058 1/20 0.39

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
SCHEMBL521193 0.94 ITGB3 (0.46) NR1H2KMT2AMEN1ITGB3ITGA2B
SCHEMBL521423 0.87 HDAC8 (0.44) NR1H2KMT2AMEN1PRMT5WDR77
SCHEMBL24192767 0.84 KMT2A (0.51) KMT2AMEN1ALDH1A1NPSR1
SCHEMBL27835352 0.83 NR1H2 (0.47) NR1H2KMT2AMEN1ITGB3ITGA2B
SCHEMBL14558964 0.83 NR1H2 (0.51) NR1H2KMT2AMEN1L3MBTL1ABCB1
SCHEMBL24534090 0.82 ALDH1A1 (0.49) KMT2AMEN1ITGB3ITGA2BALDH1A1
SCHEMBL24192903 0.81 KMT2A (0.39) KMT2AMEN1ITGB3ITGA2BL3MBTL1
SCHEMBL3910177 0.81 NR1H2 (0.49) NR1H2KMT2AMEN1ABCB1ABCG2
SCHEMBL6395035 0.81 MEN1 (0.60) KMT2AMEN1L3MBTL1PRMT5WDR77
SCHEMBL14528648 0.80 ACACB (0.47) KMT2AMEN1ITGB3ITGA2BL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11535597-B2 Photoreactive ligands and uses thereof THE SCRIPPS RESEARCH INSTITUTE (US) 2022-12-27 US disclosed
US-20200071277-A1 PHOTOREACTIVE LIGANDS AND USES THEREOF THE SCRIPPS RESEARCH INSTITUTE 2020-03-05 US disclosed
EP-2376491-B1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS CEPHALON INC (US) 2015-03-04 EP disclosed
US-8471005-B2 Pyrrolotriazines as ALK and JAK2 inhibitors CEPHALON, INC. (US) 2013-06-25 US disclosed
US-20120028919-A1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS CEPHALON, INC. (US) 2012-02-02 US disclosed
EP-2376491-A1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS Cephalon, Inc. (US) 2011-10-19 EP disclosed
WO-2010071885-A1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS CEPHALON, INC. (US) 2010-06-24 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-11535597-B2 Photoreactive ligands and uses thereof CLTB, CRYAB, CRYAA NR1H2 1692/4885KMT2A 4323/4885MEN1 4787/4885
US-20200071277-A1 PHOTOREACTIVE LIGANDS AND USES THEREOF CLTB, CRYAB, CRYAA NR1H2 1692/4885KMT2A 4323/4885MEN1 4787/4885
US-20120028919-A1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS JAK2, ALK, ABL1 NR1H2 3126/4885KMT2A 114/4885MEN1 3470/4885

“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.