SCHEMBL17504841

SCHEMBL17504841

COCc1ccc2c(ccn2C)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCI P41743 1/20 0.50
CYP2A6 P11509 1/20 0.46
CHRNA7 P36544 5/20 0.44
HCRTR1 O43613 2/20 0.42
HCRTR2 O43614 2/20 0.42
TUBB4A P04350 1/20 0.41
TUBB P07437 1/20 0.41
TUBA3C P0DPH7 1/20 0.41
TUBA1B P68363 1/20 0.41
TUBA4A P68366 1/20 0.41
TUBB4B P68371 1/20 0.41
TUBB3 Q13509 1/20 0.41
TUBB2A Q13885 1/20 0.41
TUBB8 Q3ZCM7 1/20 0.41
TUBA3E Q6PEY2 1/20 0.41
TUBA1A Q71U36 1/20 0.41
TUBA1C Q9BQE3 1/20 0.41
TUBB6 Q9BUF5 1/20 0.41
TUBB2B Q9BVA1 1/20 0.41
TUBB1 Q9H4B7 1/20 0.41

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
SCHEMBL6945456 0.86 CYP2A6 (0.46) PRKCICYP2A6CHRNA7FAAHLMNA
SCHEMBL27672700 0.80 PRKCI (0.45) PRKCICYP2A6CHRNA7HCRTR1HCRTR2
SCHEMBL8738295 0.79 PRKCI (0.55) PRKCICYP2A6CHRNA7HCRTR1HCRTR2
SCHEMBL25183109 0.78 PRKCI (0.53) PRKCICYP2A6CHRNA7CACNA1HFAAH
SCHEMBL110146 0.78 PRKCI (0.58) PRKCICYP2A6CHRNA7HCRTR1HCRTR2
SCHEMBL6965207 0.78 PRKCI (0.53) PRKCICYP2A6CHRNA7HCRTR1HCRTR2
SCHEMBL6965209 0.78 PRKCI (0.53) PRKCICYP2A6CHRNA7TUBB4ATUBB
SCHEMBL14361605 0.78 PRKCI (0.53) PRKCICYP2A6CHRNA7HCRTR1HCRTR2
SCHEMBL18876154 0.76 PRKCI (0.52) PRKCICYP2A6CHRNA7HCRTR1HCRTR2
SCHEMBL20187467 0.76 MAPT (0.51) CHRNA7TUBB4ATUBBTUBA3CTUBA1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11753421-B2 Silylated derivatives of aromatic heterocycles CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2023-09-12 US disclosed
CN-111253424-B Silylation of aromatic heterocycles over earth-rich transition metal-free catalysts 加州理工学院 2023-06-20 CN disclosed
EP-3705482-B1 SILYLATION OF AROMATIC HETEROCYCLES BY EARTH ABUNDANT TRANSITION-METAL-FREE CATALYSTS CALIFORNIA INST OF TECHN (US) 2023-02-22 EP disclosed
US-20220185828-A1 Silylated Derivatives Of Aromatic Heterocycles CALIFORNIA INSTITUTE OF TECHNOLOGY 2022-06-16 US disclosed
US-11312733-B2 Silylated derivatives of aromatic heterocycles CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2022-04-26 US disclosed
US-20210047348-A1 Silylated Derivatives Of Aromatic Heterocycles CALIFORNIA INSTITUTE OF TECHNOLOGY 2021-02-18 US disclosed
US-10919917-B2 Silylated derivatives of aromatic heterocycles CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2021-02-16 US disclosed
EP-3536694-B1 SILYLATION OF AROMATIC HETEROCYCLES BY EARTH ABUNDANT TRANSITION-METAL-FREE CATALYSTS CALIFORNIA INST OF TECHN (US) 2020-12-02 EP disclosed
EP-3705482-A1 SILYLATION OF AROMATIC HETEROCYCLES BY EARTH ABUNDANT TRANSITION-METAL-FREE CATALYSTS California Institute of Technology (US) 2020-09-09 EP disclosed
CN-111253424-A Silylation of aromatic heterocycles by earth-rich transition metal-free catalysts 加州理工学院 2020-06-09 CN disclosed
US-9809607-B2 Silylation of aromatic heterocycles by earth abundant transition-metal-free catalysts CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2017-11-07 US disclosed
US-9764995-B2 Silylation of aromatic heterocycles by disilanes using potassium alkoxide catalysts CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2017-09-19 US disclosed
EP-3177630-A1 SILYLATION OF AROMATIC HETEROCYCLES BY EARTH ABUNDANT TRANSITION-METAL-FREE CATALYSTS California Institute of Technology (US) 2017-06-14 EP disclosed
US-20170088562-A1 SILYLATION OF AROMATIC HETEROCYCLES BY DISILANES USING POTASSIUM ALKOXIDE CATALYSTS NATIONAL SCIENCE FOUNDATION 2017-03-30 US disclosed
US-9556080-B2 Silylation of aromatic heterocycles by disilanes using potassium alkoxide catalysts CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2017-01-31 US disclosed
US-20160176772-A1 SILYLATION OF AROMATIC HETEROCYCLES BY DISILANES USING POTASSIUM ALKOXIDE CATALYSTS CALIFORNIA INSTITUTE OF TECHNOLOGY 2016-06-23 US disclosed
WO-2016100606-A1 SILYLATION OF AROMATIC HETEROCYCLES BY DISILANES USING POTASSIUM ALKOXIDE CATALYSTS CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2016-06-23 WO disclosed
WO-2016022624-A9 SILYLATION OF AROMATIC HETEROCYCLES BY EARTH ABUNDANT TRANSITION-METAL-FREE CATALYSTS CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2016-03-10 WO disclosed
US-20160046653-A1 SILYLATION OF AROMATIC HETEROCYCLES BY EARTH ABUNDANT TRANSITION-METAL-FREE CATALYSTS CALIFORNIA INSTITUTE OF TECHNOLOGY 2016-02-18 US disclosed
WO-2016022624-A1 SILYLATION OF AROMATIC HETEROCYCLES BY EARTH ABUNDANT TRANSITION-METAL-FREE CATALYSTS CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2016-02-11 WO 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-11312733-B2 Silylated derivatives of aromatic heterocycles KCNH1, KCNH3, HNRNPH3 PRKCI 3762/4885CYP2A6 2952/4885CHRNA7 3988/4885
US-11753421-B2 Silylated derivatives of aromatic heterocycles KCNH1, KCNH3, HNRNPH3 PRKCI 3762/4885CYP2A6 2952/4885CHRNA7 3988/4885
US-10919917-B2 Silylated derivatives of aromatic heterocycles KCNH1, KCNH3, HNRNPH3 PRKCI 3609/4885CYP2A6 2650/4885CHRNA7 4068/4885
US-20210047348-A1 Silylated Derivatives Of Aromatic Heterocycles KCNH1, KCNH3, HNRNPH3 PRKCI 3762/4885CYP2A6 2952/4885CHRNA7 3988/4885
US-20160046653-A1 SILYLATION OF AROMATIC HETEROCYCLES BY EARTH ABUNDANT TRANSITION-METAL-FREE CATALYSTS TEC, AURKA, KARS1 PRKCI 4254/4885CYP2A6 982/4885CHRNA7 3967/4885
US-20170088562-A1 SILYLATION OF AROMATIC HETEROCYCLES BY DISILANES USING POTASSIUM ALKOXIDE CATALYSTS KCNH3, KCNH2, KCNH1 PRKCI 4306/4885CYP2A6 2872/4885CHRNA7 3452/4885
US-20220185828-A1 Silylated Derivatives Of Aromatic Heterocycles KCNH1, KCNH3, HNRNPH3 PRKCI 3762/4885CYP2A6 2952/4885CHRNA7 3988/4885
US-20160176772-A1 SILYLATION OF AROMATIC HETEROCYCLES BY DISILANES USING POTASSIUM ALKOXIDE CATALYSTS DDC, KCNH3, KCNN2 PRKCI 4082/4885CYP2A6 2681/4885CHRNA7 3320/4885

“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.