SCHEMBL9797693

SCHEMBL9797693

C=Cc1cnc(C=O)cn1

nearest known ligand 0.41

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
KCNJ1 P48048 2/20 0.41
CCR1 P32246 1/20 0.32
HDAC8 Q9BY41 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
SCHEMBL1825784 0.86 KCNJ1 (0.48) KCNJ1CCR1
SCHEMBL872286 0.86 HDAC8 (0.37) HDAC8
Iodide SCHEMBL28714110 0.83 KCNJ1 (0.47) KCNJ1CCR1
SCHEMBL934260 0.72
SCHEMBL9316936 0.72
SCHEMBL5040448 0.72
SCHEMBL1913986 0.72
SCHEMBL14941176 0.72
SCHEMBL1107417 0.72
SCHEMBL29642530 0.72

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113912617-A Substituted tricycles and methods of use 艾伯维公司 2022-01-11 CN disclosed
CN-108349930-B Substituted tricycles and methods of use 艾伯维公司 2021-10-29 CN disclosed
US-20190135827-A1 Substituted Tricyclics and Method of Use ABBVIE SARL (LU) 2019-05-09 US disclosed
CN-108349930-A Substituted Tricycles and Methods of Use 艾伯维公司 2018-07-31 CN disclosed
EP-3322697-A1 SUBSTITUTED TRICYCLICS AND METHOD OF USE Abbvie S.a.r.l. (LU) 2018-05-23 EP disclosed
US-9978474-B2 Conductive open frameworks THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2018-05-22 US disclosed
US-20180037587-A1 Substituted Tricyclics and Method of Use ABBVIE S.Á.R.L. (LU) 2018-02-08 US disclosed
US-9840513-B2 Substituted tricyclics and method of use ABBVIE S.Á.R.L. (LU) 2017-12-12 US disclosed
US-20170015675-A1 SUBSTITUTED TRICYCLICS AND METHOD OF USE ABBVIE OVERSEAS S.Á.R.L. (LU) 2017-01-19 US disclosed
WO-2017009804-A1 SUBSTITUTED TRICYCLICS AND METHOD OF USE ABBVIE S.Á.R.L. (LU) 2017-01-19 WO disclosed
US-20160247593-A1 CONDUCTIVE OPEN FRAMEWORKS UNITED STATES DEPARTMENT OF ENERGY 2016-08-25 US disclosed
US-4981978-A Reaction products of imidazole on pyrazole derivatives and 4-isopropenyl-1-cyclohexene-1-carboxaldehyde THE DOW CHEMICAL COMPANY (US) 1991-01-01 US disclosed
US-4927932-A Reaction products of pyrimidine, pyridazine and 4-isopropenyl-1-cyclohexene-1-carboxaldehyde THE DOW CHEMICAL COMPANY (US) 1990-05-22 US disclosed
US-4831137-A Reaction products of pteridine and 4-isopropenyl-1-cyclohexene-1-carboxaldehyde THE DOW CHEMICAL COMPANY (US) 1989-05-16 US disclosed
US-4755600-A Reaction products of pyrazine, pyridine, quinoline and quinoxaline derivatives and 4-isopropenyl-1-cyclohexene-1-carboxaldehyde THE DOW CHEMICAL COMPANY (US) 1988-07-05 US disclosed
US-4680347-A Thermosettable polystyrylpyrazine polymers terminated with ethylenically unsaturated groups and cured products therefrom THE DOW CHEMICAL COMPANY (US) 1987-07-14 US disclosed
EP-0220204-A1 THERMOSETTABLE POLYSTYRYLPYRIDINE PREPOLYMER TERMINATED WITH ETHYLENICALLY UNSATURATED GROUPS AND CURED PRODUCTS THEREFROM THE DOW CHEMICAL COMPANY (US) 1987-05-06 EP disclosed
US-4629770-A Thermosettable polystyrylpyrazine polymers terminated with ethylenically unsaturated groups and cured products therefrom THE DOW CHEMICAL COMPANY (US) 1986-12-16 US disclosed
WO-1986006386-A1 THERMOSETTABLE POLYSTYRYLPYRIDINE PREPOLYMER TERMINATED WITH ETHYLENICALLY UNSATURATED GROUPS AND CURED PRODUCTS THEREFROM THE DOW CHEMICAL COMPANY (US) 1986-11-06 WO disclosed
US-4575542-A Thermosettable polystyrylpyridine prepolymer terminated with ethylenically unsaturated groups and cured products therefrom THE DOW CHEMICAL COMPANY (US) 1986-03-11 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 (4 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-20160247593-A1 CONDUCTIVE OPEN FRAMEWORKS GJB2, OR10J3, EPCAM KCNJ1 136/4885CCR1 1573/4885HDAC8 4480/4885
US-20170015675-A1 SUBSTITUTED TRICYCLICS AND METHOD OF USE CFTR, F12, CHRM2 KCNJ1 724/4885CCR1 32/4885HDAC8 2763/4885
US-20190135827-A1 Substituted Tricyclics and Method of Use CFTR, F12, CHRM2 KCNJ1 724/4885CCR1 32/4885HDAC8 2763/4885
US-20180037587-A1 Substituted Tricyclics and Method of Use CFTR, F12, CHRM2 KCNJ1 724/4885CCR1 32/4885HDAC8 2763/4885

“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.