SCHEMBL20004291

SCHEMBL20004291

Ic1cc2cnccc2[nH]1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DAO P14920 2/20 0.53
PDE3B Q13370 1/20 0.50
PDE3A Q14432 1/20 0.50
MAPT P10636 1/20 0.43
SNCA P37840 1/20 0.43
HASPIN Q8TF76 5/20 0.42
PIM1 P11309 2/20 0.42
HRH4 Q9H3N8 1/20 0.41
CDK4 P11802 1/20 0.39
CCND1 P24385 1/20 0.39
CLK2 P49760 3/20 0.38
CLK3 P49761 3/20 0.38
DYRK1A Q13627 3/20 0.38
CNR2 P34972 1/20 0.38
ACHE P22303 3/20 0.38
CYP19A1 P11511 1/20 0.36
CYP2C9 P11712 1/20 0.35
NAMPT P43490 1/20 0.35

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
SCHEMBL7494057 0.83 DAO (0.53) DAOPDE3BPDE3AMAPTSNCA
SCHEMBL21957317 0.77 DAO (0.65) DAOPDE3BPDE3AMAPTSNCA
SCHEMBL4805509 0.75 DAO (0.53) DAOPDE3BPDE3AMAPTSNCA
SCHEMBL1853725 0.75 DAO (0.53) DAOPDE3BPDE3AMAPTSNCA
SCHEMBL28809999 0.75 DAO (0.53) DAOPDE3BPDE3AMAPTSNCA
SCHEMBL31691908 0.75 DAO (0.53) DAOPDE3BPDE3AMAPTSNCA
SCHEMBL27851181 0.75 DAO (0.53) DAOPDE3BPDE3AMAPTSNCA
SCHEMBL28383003 0.75 DAO (0.53) DAOPDE3BPDE3AMAPTSNCA
SCHEMBL26018015 0.73 PARP1 (0.45) DAOPDE3BPDE3AMAPT
SCHEMBL5314190 0.72 MAPT (0.51) DAOPDE3BPDE3AMAPTSNCA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107043395-A A kind of synthetic method of azaindole substituted boracic acid class compound 江苏常州酞青新材料科技有限公司 2017-08-15 CN claimed
US-10906900-B2 Compounds for using in imaging and particularly for the diagnosis of neurodegenerative diseases CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2021-02-02 US disclosed
US-10906900-B2 Compounds for using in imaging and particularly for the diagnosis of neurodegenerative diseases CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2021-02-02 US disclosed
EP-3515912-B1 COMPOUNDS FOR USING IN IMAGING AND PARTICULARLY FOR THE DIAGNOSIS OF NEURODEGENERATIVE DISEASES CENTRE NAT RECH SCIENT (FR) 2020-10-14 EP disclosed
US-20190211011-A1 COMPOUNDS FOR USING IN IMAGING AND PARTICULARLY FOR THE DIAGNOSIS OF NEURODEGENERATIVE DISEASES CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2019-07-11 US disclosed
US-20190211011-A1 COMPOUNDS FOR USING IN IMAGING AND PARTICULARLY FOR THE DIAGNOSIS OF NEURODEGENERATIVE DISEASES CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2019-07-11 US disclosed
WO-2018109198-A1 BICYCLIC OGA INHIBITOR COMPOUNDS JANSSEN PHARMACEUTICA NV (BE) 2018-06-21 WO disclosed
WO-2018055316-A1 COMPOUNDS FOR USING IN IMAGING AND PARTICULARLY FOR THE DIAGNOSIS OF NEURODEGENERATIVE DISEASES CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2018-03-29 WO disclosed
CN-105579451-B Novel 1- (4-pyrimidinyl) -1H-pyrrolo [3,2-c ] pyridine derivatives as NIK inhibitors 詹森药业有限公司 2017-10-27 CN disclosed
CN-107043395-A A kind of synthetic method of azaindole substituted boracic acid class compound 江苏常州酞青新材料科技有限公司 2017-08-15 CN disclosed
CN-105579451-A Novel 1- (4-pyrimidinyl) -1H-pyrrolo [3,2-c ] pyridine derivatives as NIK inhibitors JANSSEN PHARMACEUTICA NV 2016-05-11 CN 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-10906900-B2 Compounds for using in imaging and particularly for the diagnosis of neurodegenerative diseases PSEN2, CLN6, MAPT DAO 1775/4885PDE3B 1332/4885PDE3A 1696/4885
US-20190211011-A1 COMPOUNDS FOR USING IN IMAGING AND PARTICULARLY FOR THE DIAGNOSIS OF NEURODEGENERATIVE DISEASES PSEN2, SNCA, MAPT DAO 2202/4885PDE3B 1903/4885PDE3A 2248/4885

“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.