SCHEMBL16806035

SCHEMBL16806035

COc1cccc(-c2nc(C)ncc2C)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 1/20 0.50
CLK4 Q9HAZ1 1/20 0.50
ADORA2A P29274 3/20 0.48
ADORA1 P30542 2/20 0.48
PDGFRB P09619 1/20 0.47
PDGFRA P16234 1/20 0.47
NPSR1 Q6W5P4 3/20 0.46
TDP1 Q9NUW8 3/20 0.46
ALDH1A1 P00352 2/20 0.46
MAPT P10636 2/20 0.46
LMNA P02545 1/20 0.46
GAA P10253 1/20 0.46
PIK3CG P48736 1/20 0.45
DCUN1D1 Q96GG9 1/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
ADORA2B P29275 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
KDM4E B2RXH2 1/20 0.43

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
SCHEMBL12813321 0.85 DYRK1A (0.47) DYRK1ACLK4ADORA2AADORA1PDGFRB
SCHEMBL1971473 0.80 LMNA (0.53) ALDH1A1LMNAKMT2AKDM4EHPGD
SCHEMBL16482024 0.78 AXL (0.47) ADORA2AADORA1TDP1MAPTGAA
SCHEMBL2611837 0.76 MAPT (0.57) NPSR1TDP1ALDH1A1MAPTLMNA
SCHEMBL19427367 0.76 KDR (0.53) CLK4ADORA2AADORA1ALDH1A1MAPT
SCHEMBL3415089 0.75 JAK3 (0.53) DYRK1ACLK4ADORA2AADORA1PDGFRB
SCHEMBL28627456 0.75 CLK4 (0.50) DYRK1ACLK4ADORA2AADORA1PDGFRB
SCHEMBL10094648 0.74 DYRK1A (0.62) DYRK1ACLK4ADORA2AALDH1A1GAA
SCHEMBL2404601 0.74 ADORA2A (0.50) DYRK1ACLK4ADORA2AADORA1PDGFRB
SCHEMBL13951544 0.74 DHODH (0.49) DYRK1ACLK4ADORA2AADORA1PDGFRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11040966-B2 Benzimidazole-proline derivatives IDORSIA PHARMACEUTICALS LTD (CH) 2021-06-22 US disclosed
WO-2020099511-A1 BENZIMIDAZOLE-2-METHYL-MORPHOLINE DERIVATIVES IDORSIA PHARMACEUTICALS LTD (CH) 2020-05-22 WO disclosed
WO-2020007964-A1 2-(2-AZABICYCLO[3.1.0]HEXAN-1-YL)-1H-BENZIMIDAZOLE DERIVATIVES IDORSIA PHARMACEUTICALS LTD (CH) 2020-01-09 WO disclosed
US-20190263797-A1 BENZIMIDAZOLE-PROLINE DERIVATIVES IDORSIA PHARMACEUTICALS LTD (CH) 2019-08-29 US disclosed
US-10329287-B2 Benzimidazole-proline derivatives IDORSIA PHARMACEUTICALS LTD (CH) 2019-06-25 US disclosed
US-20170305897-A1 BENZIMIDAZOLE-PROLINE DERIVATIVES IDORSIA PHARMACEUTICALS LTD (CH) 2017-10-26 US disclosed
US-20170305897-A1 BENZIMIDAZOLE-PROLINE DERIVATIVES IDORSIA PHARMACEUTICALS LTD (CH) 2017-10-26 US disclosed
US-9732075-B2 Benzimidazole-proline derivatives IDORSIA PHARMACEUTICALS LTD (CH) 2017-08-15 US disclosed
US-9732075-B2 Benzimidazole-proline derivatives IDORSIA PHARMACEUTICALS LTD (CH) 2017-08-15 US disclosed
EP-2855453-B1 BENZIMIDAZOLE-PROLINE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2016-12-07 EP disclosed
US-20150166527-A1 BENZIMIDAZOLE-PROLINE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2015-06-18 US disclosed
US-20150166527-A1 BENZIMIDAZOLE-PROLINE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2015-06-18 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 (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-20150166527-A1 BENZIMIDAZOLE-PROLINE DERIVATIVES HCRTR1, HCRTR2, NPY1R DYRK1A 3203/4885CLK4 3686/4885ADORA2A 252/4885
US-10329287-B2 Benzimidazole-proline derivatives HCRTR1, HCRTR2, NPY1R DYRK1A 3158/4885CLK4 3611/4885ADORA2A 231/4885
US-11040966-B2 Benzimidazole-proline derivatives HCRTR1, HCRTR2, NPY1R DYRK1A 3158/4885CLK4 3611/4885ADORA2A 231/4885
US-20190263797-A1 BENZIMIDAZOLE-PROLINE DERIVATIVES HCRTR1, HCRTR2, NPY1R DYRK1A 3158/4885CLK4 3611/4885ADORA2A 231/4885
US-20170305897-A1 BENZIMIDAZOLE-PROLINE DERIVATIVES HCRTR1, HCRTR2, NPY1R DYRK1A 3158/4885CLK4 3611/4885ADORA2A 231/4885

“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.