SCHEMBL11148656

SCHEMBL11148656

CCOC(=O)c1ccc2[nH]c(N)nc2c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 2/20 0.53
MMP2 P08253 1/20 0.53
MMP13 P45452 1/20 0.53
ALDH1A1 P00352 6/20 0.52
RAB9A P51151 6/20 0.52
KDM4E B2RXH2 4/20 0.52
MAPT P10636 3/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
HPGD P15428 3/20 0.51
HSD17B10 Q99714 3/20 0.51
MAPK1 P28482 2/20 0.51
HRH3 Q9Y5N1 1/20 0.51
POLB P06746 1/20 0.51
PKN1 Q16512 1/20 0.51
PKN2 Q16513 1/20 0.51
SIRT2 Q8IXJ6 3/20 0.50
SIRT1 Q96EB6 2/20 0.50
LMNA P02545 2/20 0.50

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
SCHEMBL8283877 0.89 PKN1 (0.64) HCRTR1ALDH1A1RAB9AKDM4EMAPT
SCHEMBL11246587 0.87 CYP1A2 (0.55) ALDH1A1RAB9AMAPTSMN1; SMN2HPGD
SCHEMBL6169066 0.86 HCRTR1 (0.56) HCRTR1MMP2MMP13ALDH1A1RAB9A
SCHEMBL1202574 0.84 KDM4E (0.50) MMP2MMP13ALDH1A1RAB9AKDM4E
SCHEMBL7795891 0.83 HCRTR1 (0.53) HCRTR1MMP2MMP13ALDH1A1RAB9A
SCHEMBL11824061 0.83 SIRT2 (0.56) HCRTR1MMP2MMP13ALDH1A1RAB9A
Bromide SCHEMBL214290 0.83 KDM4E (0.49) MMP2MMP13ALDH1A1RAB9AKDM4E
SCHEMBL20001715 0.82 SIRT2 (0.65) ALDH1A1RAB9AKDM4ESMN1; SMN2MEN1
SCHEMBL12393020 0.82 ALDH1A1 (0.54) HCRTR1MMP2MMP13ALDH1A1RAB9A
SCHEMBL12393006 0.82 HRH3 (0.56) HCRTR1MMP2MMP13ALDH1A1RAB9A

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
US-10005769-B2 2,3-dihydrobenzofuran-5YL compounds as DYRK kinase inhibitors 4SC AG (DE) 2018-06-26 US disclosed
US-20160137637-A1 2,3-DIHYDROBENZOFURAN-5YL COMPOUNDS AS DYRK KINASE INHIBITORS 4SC DISCOVERY GMBH (DE) 2016-05-19 US disclosed
EP-3010920-A1 2,3-DIHYDROBENZOFURAN-5-YL COMPOUNDS AS DYRK KINASE INHIBITORS 4SC Discovery GmbH (DE) 2016-04-27 EP disclosed
WO-2014202638-A9 2,3-DIHYDROBENZOFURAN-5-YL COMPOUNDS AS DYRK KINASE INHIBITORS 4SC DISCOVERY GMBH (DE) 2016-03-03 WO disclosed
WO-2014202638-A1 2,3-DIHYDROBENZOFURAN-5-YL COMPOUNDS AS DYRK KINASE INHIBITORS 4SC DISCOVERY GMBH (DE) 2014-12-24 WO disclosed
US-4401817-A ANTIVIRAL AGENTS ELI LILLY AND COMPANY (US) 1983-08-30 US disclosed
US-4338329-A COMBATTING RHINOVIRUSES ELI LILLY AND COMPANY (US) 1982-07-06 US disclosed
US-4316021-A VIRICIDES ELI LILLY AND COMPANY (US) 1982-02-16 US disclosed
US-4289782-A PARTICULARLY FOR INHIBITING GROWTH OF RHINOVIRUSES ELI LILLY AND COMPANY (US) 1981-09-15 US disclosed
US-4243813-A VIRICIDES ELI LILLY AND COMPANY (US) 1981-01-06 US disclosed
US-4230868-A α-Alkyl-α-hydroxybenzyl-substituted 1-sulfonylbenzimidazoles ELI LILLY AND COMPANY (US) 1980-10-28 US disclosed
US-4196125-A VIRICIDES ELI LILLY AND COMPANY (US) 1980-04-01 US disclosed
US-4174454-A VIRICIDES ELI LILLY AND COMPANY (US) 1979-11-13 US disclosed
US-4118742-A VIRICIDES ELI LILLY AND COMPANY (US) 1978-10-03 US disclosed
US-4118573-A ANTIVIRAL AGENTS ELI LILLY AND COMPANY (US) 1978-10-03 US disclosed
US-4018790-A VIRICIDES ELI LILLY AND COMPANY (US) 1977-04-19 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 (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-10005769-B2 2,3-dihydrobenzofuran-5YL compounds as DYRK kinase inhibitors DYRK2, DYRK1B, DYRK1A HCRTR1 4299/4885MMP2 1943/4885MMP13 1707/4885
US-20160137637-A1 2,3-DIHYDROBENZOFURAN-5YL COMPOUNDS AS DYRK KINASE INHIBITORS DYRK2, DYRK1B, DYRK1A HCRTR1 4299/4885MMP2 1943/4885MMP13 1707/4885

“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.