SCHEMBL2814958

SCHEMBL2814958

c1ncc(-c2cncnc2)cn1

nearest known ligand 0.65

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.65
CYP2A6 P11509 2/20 0.58
XDH P47989 1/20 0.42
AURKA O14965 1/20 0.41
TTK P33981 1/20 0.41
AURKB Q96GD4 1/20 0.41
INCENP Q9NQS7 1/20 0.41
HCAR2 Q8TDS4 1/20 0.40
ERN1 O75460 5/20 0.39
CYP3A4 P08684 2/20 0.37
ALDH1A1 P00352 1/20 0.37
CYP1A2 P05177 1/20 0.37
GRM5 P41594 1/20 0.35
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 1/20 0.34
CYP2D6 P10635 1/20 0.32

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
SCHEMBL31290743 0.96 ATM (0.61) ATMCYP2A6XDHAURKATTK
SCHEMBL6682176 0.89 ATM (0.72) ATMCYP2A6XDHAURKATTK
SCHEMBL13910998 0.84 ATM (0.50) ATMCYP2A6XDHAURKATTK
SCHEMBL16606293 0.83 ATM (0.50) ATMCYP2A6XDHAURKATTK
SCHEMBL5575443 0.80 MAPT (0.65) ATMCYP2A6XDHCYP3A4ALDH1A1
SCHEMBL2118053 0.80 ATM (1.00) ATMCYP2A6XDHCYP3A4ALDH1A1
SCHEMBL999256 0.80 ATM (0.48) ATMCYP2A6XDHAURKATTK
SCHEMBL22089054 0.78 ATM (0.67) ATMCYP2A6ERN1CYP3A4ALDH1A1
SCHEMBL12951374 0.78 ATM (0.46) ATMCYP2A6XDHAURKATTK
SCHEMBL25292955 0.78 TP53 (0.48) ATMCYP2A6XDHAURKATTK

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12404221-B2 Methods of arene alkenylation UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2025-09-02 US disclosed
US-11833494-B2 Catalysts and methods for forming alkenyl substituted arenes UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2023-12-05 US disclosed
US-11772083-B2 Catalysts and methods for forming alkenyl and alkyl substituted arenes UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2023-10-03 US disclosed
US-20230234900-A1 METHODS OF ARENE ALKENYLATION UNIVERSITY OF VIRGINIA PATENT FOUNDATION 2023-07-27 US disclosed
US-20230173476-A1 CATALYSTS AND METHODS FOR FORMING ALKENYL SUBSTITUTED ARENES UNIVERSITY OF VIRGINIA PATENT FOUNDATION 2023-06-08 US disclosed
US-20210283587-A1 CATALYSTS AND METHODS FOR FORMING ALKENYL AND ALKYL SUBSTITUTED ARENES UNIVERSITY OF VIRGINIA PATENT FOUNDATION 2021-09-16 US disclosed
US-10967364-B2 Catalysts and methods for forming alkenyl and alkyl substituted arenes UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2021-04-06 US disclosed
EP-3466932-A1 PRODUCTION METHOD FOR BICYCLIC NITROGEN-CONTAINING HETEROCYCLIC COMPOUND Kobelco Eco-Solutions Co., Ltd (JP) 2019-04-10 EP disclosed
US-20180065116-A1 CATALYSTS AND METHODS FOR FORMING ALKENYL AND ALKYL SUBSTITUTED ARENES UNIVERSITY OF VIRGINIA 2018-03-08 US disclosed
US-9728805-B2 Nonaqueous electrolyte and lithium secondary battery using the same LG CHEM, LTD. (KR) 2017-08-08 US disclosed
WO-2016154416-A1 CATALYSTS AND METHODS FOR FORMING ALKENYL AND ALKYL SUBSTITUTED ARENES UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2016-09-29 WO disclosed
US-8815416-B2 Organic electroluminescent device using a bipyrimidine compound NIPPON STEEL & SUMIKIN CHEMICAL CO., LTD. (JP) 2014-08-26 US disclosed
US-20130256646-A1 ELECTRONIC DEVICE INCLUDING A PYRIMIDINE COMPOUND E I DU PONT DE NEMOURS AND COMPANY (US) 2013-10-03 US disclosed
US-20130004859-A1 NONAQUEOUS ELECTROLYTE AND LITHIUM SECONDARY BATTERY USING THE SAME LG ENERGY SOLUTION, LTD. (KR) 2013-01-03 US disclosed
US-20130004859-A1 NONAQUEOUS ELECTROLYTE AND LITHIUM SECONDARY BATTERY USING THE SAME LG ENERGY SOLUTION, LTD. (KR) 2013-01-03 US disclosed
EP-2239255-A1 COMPOUND FOR ORGANIC ELECTROLUMINESCENT DEVICE AND ORGANIC ELECTROLUMINESCENT DEVICE USING THE SAME Nippon Steel Chemical Co., Ltd. (JP) 2010-10-13 EP disclosed
US-20100244013-A1 COMPOUND FOR ORGANIC ELECTROLUMINESCENT DEVICE AND ORGANIC ELECTROLUMINESCENT DEVICE USING THE SAME NIPPON STEEL CHEMICAL & MATERIAL CO., LTD. (JP) 2010-09-30 US disclosed
US-20090082574-A1 Metallacycles and methods of making the same ACADEMIA SINICA (TW) 2009-03-26 US disclosed
US-20090082574-A1 Metallacycles and methods of making the same ACADEMIA SINICA (TW) 2009-03-26 US disclosed
US-4524114-A Bifunctional air electrode ALLIED CORPORATION (US) 1985-06-18 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 (9 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-20090082574-A1 Metallacycles and methods of making the same SOD1, PMS2, MEN1 ATM 1812/4885CYP2A6 380/4885XDH 3386/4885
US-20230234900-A1 METHODS OF ARENE ALKENYLATION CYBB, CBR3, AHR ATM 167/4885CYP2A6 648/4885XDH 116/4885
US-10967364-B2 Catalysts and methods for forming alkenyl and alkyl substituted arenes ALKBH3, SOD1, GARS1 ATM 1402/4885CYP2A6 2555/4885XDH 1848/4885
US-12404221-B2 Methods of arene alkenylation CYBB, CBR3, AHR ATM 167/4885CYP2A6 648/4885XDH 116/4885
US-20210283587-A1 CATALYSTS AND METHODS FOR FORMING ALKENYL AND ALKYL SUBSTITUTED ARENES ALKBH3, SOD1, GARS1 ATM 1402/4885CYP2A6 2555/4885XDH 1848/4885
US-11833494-B2 Catalysts and methods for forming alkenyl substituted arenes SOD1, ALKBH3, HACL2 ATM 1679/4885CYP2A6 2823/4885XDH 2371/4885
US-11772083-B2 Catalysts and methods for forming alkenyl and alkyl substituted arenes ALKBH3, SOD1, GARS1 ATM 1402/4885CYP2A6 2555/4885XDH 1848/4885
US-20230173476-A1 CATALYSTS AND METHODS FOR FORMING ALKENYL SUBSTITUTED ARENES SOD1, ALKBH3, HACL2 ATM 1679/4885CYP2A6 2823/4885XDH 2371/4885
US-20180065116-A1 CATALYSTS AND METHODS FOR FORMING ALKENYL AND ALKYL SUBSTITUTED ARENES ALKBH3, SOD1, GARS1 ATM 1402/4885CYP2A6 2555/4885XDH 1848/4885

“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.