SCHEMBL109344

SCHEMBL109344

CN1CCN(c2cccc(CN)c2)CC1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AGXT P21549 3/20 0.69
ADRA2C P18825 2/20 0.64
HTR3A P46098 1/20 0.49
PRMT6 Q96LA8 3/20 0.47
GAA P10253 3/20 0.47
KDM4E B2RXH2 2/20 0.47
MAPT P10636 2/20 0.47
PTK2B Q14289 2/20 0.47
MAPK1 P28482 1/20 0.47
HTT P42858 1/20 0.47
RECQL P46063 1/20 0.47
AOC3 Q16853 1/20 0.46
KMT2A Q03164 2/20 0.46
ALDH1A1 P00352 1/20 0.46
GFER P55789 1/20 0.46
ESR2 Q92731 1/20 0.46
CA2 P00918 1/20 0.45
NCF1 P14598 1/20 0.45
CHKA P35790 1/20 0.45
PLOD2 O00469 1/20 0.45

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
SCHEMBL2462500 0.94 AGXT (0.62) AGXTADRA2CHTR3APRMT6CA2
SCHEMBL27662780 0.91 AGXT (0.56) AGXTADRA2CPRMT6MAPTALDH1A1
SCHEMBL5790198 0.87 AGXT (0.66) AGXTADRA2CHTR3APRMT6GAA
SCHEMBL8189615 0.84 AGXT (0.67) AGXTADRA2CHTR3APRMT6KDM4E
SCHEMBL109316 0.84 AGXT (0.67) AGXTPRMT6GAAKDM4EMAPT
SCHEMBL2376462 0.83 CHRNA7 (0.59) AGXTPRMT6GAAKDM4EMAPT
SCHEMBL3728010 0.83 AOC3 (0.66) AGXTADRA2CGAAKDM4EMAPT
SCHEMBL15505050 0.83 AGXT (0.65) AGXTADRA2CHTR3APRMT6GAA
SCHEMBL3600598 0.83 AGXT (0.65) AGXTADRA2CHTR3APRMT6GAA
SCHEMBL13563426 0.83 AGXT (0.65) AGXTADRA2CHTR3APRMT6GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12049461-B2 4,6-di- and 2,4,6-trisubstituted quinazoline derivatives useful for treating viral infections GILEAD SCIENCES, INC. (US) 2024-07-30 US disclosed
US-20210276988-A1 4,6-DI- AND 2,4,6-TRISUBSTITUTED QUINAZOLINE DERIVATIVES USEFUL FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. 2021-09-09 US disclosed
US-10882851-B2 4,6-di- and 2,4,6-trisubstituted quinazoline derivatives useful for treating viral infections GILEAD SCIENCES, INC. (US) 2021-01-05 US disclosed
US-9657013-B2 Inhibitors of hepatitis B virus covalently closed circular DNA formation and their method of use BARUCH S. BLUMBERG INSTITUTE (US) 2017-05-23 US disclosed
US-20160257673-A1 4,6-DI- AND 2,4,6-TRISUBSTITUTED QUINAZOLINE DERIVATIVES USEFUL FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. 2016-09-08 US disclosed
US-20160137785-A1 POLY(BETA-AMINO ALCOHOLS), THEIR PREPARATION, AND USES THEREOF MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2016-05-19 US disclosed
US-20160137785-A1 POLY(BETA-AMINO ALCOHOLS), THEIR PREPARATION, AND USES THEREOF MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2016-05-19 US disclosed
US-9259426-B2 4,6-di- and 2,4,6-trisubstituted quinazoline derivatives useful for treating viral infections GILEAD SCIENCES, INC. (US) 2016-02-16 US disclosed
US-9193827-B2 Poly(beta-amino alcohols), their preparation, and uses thereof MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2015-11-24 US disclosed
US-9193827-B2 Poly(beta-amino alcohols), their preparation, and uses thereof MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2015-11-24 US disclosed
US-7196078-B2 Trisubstituted and tetrasubstituted pyrazolopyrimidines as cyclin dependent kinase inhibitors SCHERING CORPOARTION (US) 2007-03-27 US disclosed
US-7196078-B2 Trisubstituted and tetrasubstituted pyrazolopyrimidines as cyclin dependent kinase inhibitors SCHERING CORPOARTION (US) 2007-03-27 US disclosed
US-20070054925-A1 Novel pyrazolopyrimidines as cyclin dependent kinase inhibitors SCHERING CORPORATION 2007-03-08 US disclosed
US-20070054925-A1 Novel pyrazolopyrimidines as cyclin dependent kinase inhibitors SCHERING CORPORATION 2007-03-08 US disclosed
US-20070054906-A1 Novel pyrazolopyrimidines as cyclin dependent kinase inhibitors SCHERING CORPORATION 2007-03-08 US disclosed
US-20070054906-A1 Novel pyrazolopyrimidines as cyclin dependent kinase inhibitors SCHERING CORPORATION 2007-03-08 US disclosed
US-20070037824-A1 Enzyme inhibitors from pyrazolo[1,5a]pyrimidine as enzyme inhibitors SCHERING CORPORATION 2007-02-15 US disclosed
US-20070037824-A1 Enzyme inhibitors from pyrazolo[1,5a]pyrimidine as enzyme inhibitors SCHERING CORPORATION 2007-02-15 US disclosed
US-7161003-B1 Pyrazolopyrimidines as cyclin dependent kinase inhibitors SCHERING CORPORATION (US) 2007-01-09 US disclosed
US-7161003-B1 Pyrazolopyrimidines as cyclin dependent kinase inhibitors SCHERING CORPORATION (US) 2007-01-09 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 (8 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-12049461-B2 4,6-di- and 2,4,6-trisubstituted quinazoline derivatives useful for treating viral infections NR3C1, NR3C2, NR4A1 AGXT 3804/4885ADRA2C 162/4885HTR3A 679/4885
US-20070054925-A1 Novel pyrazolopyrimidines as cyclin dependent kinase inhibitors CDK2, CDK1, CDKN1A AGXT 3972/4885ADRA2C 4040/4885HTR3A 3588/4885
US-20210276988-A1 4,6-DI- AND 2,4,6-TRISUBSTITUTED QUINAZOLINE DERIVATIVES USEFUL FOR TREATING VIRAL INFECTIONS NR3C1, NR3C2, NR4A1 AGXT 3804/4885ADRA2C 162/4885HTR3A 679/4885
US-20160137785-A1 POLY(BETA-AMINO ALCOHOLS), THEIR PREPARATION, AND USES THEREOF PDGFA, MIF, FIBP AGXT 1172/4885ADRA2C 1025/4885HTR3A 3159/4885
US-20070037824-A1 Enzyme inhibitors from pyrazolo[1,5a]pyrimidine as enzyme inhibitors CDK2, CDK5, CDKN1A AGXT 2491/4885ADRA2C 3945/4885HTR3A 2451/4885
US-10882851-B2 4,6-di- and 2,4,6-trisubstituted quinazoline derivatives useful for treating viral infections NR3C1, NR3C2, NR5A2 AGXT 3910/4885ADRA2C 208/4885HTR3A 716/4885
US-20160257673-A1 4,6-DI- AND 2,4,6-TRISUBSTITUTED QUINAZOLINE DERIVATIVES USEFUL FOR TREATING VIRAL INFECTIONS NR3C1, NR3C2, NR5A2 AGXT 3910/4885ADRA2C 208/4885HTR3A 716/4885
US-20070054906-A1 Novel pyrazolopyrimidines as cyclin dependent kinase inhibitors CDK2, CDK1, CDKN1A AGXT 3972/4885ADRA2C 4040/4885HTR3A 3588/4885

“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.