SCHEMBL3580819

SCHEMBL3580819

C#Cc1ccc2c(ccn2C)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCI P41743 1/20 0.53
CYP2A6 P11509 2/20 0.49
PIK3CB P42338 1/20 0.41
HSD11B1 P28845 1/20 0.41
HTR7 P34969 1/20 0.40
CHRNA1 P02708 2/20 0.38
CHRNG P07510 2/20 0.38
CHRNB1 P11230 2/20 0.38
CHRNB2 P17787 2/20 0.38
CHRNB4 P30926 2/20 0.38
CHRNA3 P32297 2/20 0.38
CHRNA7 P36544 2/20 0.38
CHRNA4 P43681 2/20 0.38
HTR3A P46098 2/20 0.38
CHRND Q07001 2/20 0.38
FAAH O00519 2/20 0.37
CDC7 O00311 1/20 0.37
CDK2 P24941 1/20 0.37
TUBB4A P04350 1/20 0.37
TUBB P07437 1/20 0.37

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
SCHEMBL18029368 0.85 HTR7 (0.49) PRKCICYP2A6PIK3CBHTR7CDC7
SCHEMBL1779268 0.81 PRKCI (0.53) PRKCICYP2A6PIK3CBHSD11B1CHRNA7
SCHEMBL6967613 0.81 PRKCI (0.53) PRKCICYP2A6PIK3CBHSD11B1CHRNA1
SCHEMBL29499059 0.81 PRKCI (0.53) PRKCICYP2A6PIK3CBHSD11B1CHRNA7
SCHEMBL3147815 0.75 PRKCI (0.47) PRKCICYP2A6PIK3CBHSD11B1CHRNA1
SCHEMBL31036124 0.75 PRKCI (0.47) PRKCICYP2A6PIK3CBHSD11B1CHRNA1
SCHEMBL255660 0.74 ACACB (0.49) HTR7MAOB
SCHEMBL29263639 0.73 PRKCI (0.49) PRKCICYP2A6PIK3CBHSD11B1CHRNA7
SCHEMBL3138256 0.73 CHRNA7 (0.49) PRKCICYP2A6PIK3CBHSD11B1CHRNA1
SCHEMBL18000322 0.72 MEN1 (0.42)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250263760-A1 MODIFIED BACTERIA FOR PRODUCTION OF NITROAROMATICS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2025-08-21 US disclosed
US-12319946-B2 Methods for producing modified bacteria for production of nitroaromatics UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2025-06-03 US disclosed
US-20240229090-A1 MODIFIED BACTERIA FOR PRODUCTION OF NITROAROMATICS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2024-07-11 US disclosed
US-20240229090-A1 MODIFIED BACTERIA FOR PRODUCTION OF NITROAROMATICS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2024-07-11 US disclosed
US-20240229090-A1 MODIFIED BACTERIA FOR PRODUCTION OF NITROAROMATICS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2024-07-11 US disclosed
CN-113423710-B Novel heterocyclic tricyclic derivative compounds and use thereof 韩美药品株式会社 2024-06-14 CN disclosed
US-11879144-B2 Modified bacteria for production of nitroaromatics UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2024-01-23 US disclosed
US-20230287466-A1 MODIFIED BACTERIA FOR PRODUCTION OF NITROAROMATICS UNIVERSITY OF FLORIDA RESEARCH (US) 2023-09-14 US disclosed
US-20230287466-A1 MODIFIED BACTERIA FOR PRODUCTION OF NITROAROMATICS UNIVERSITY OF FLORIDA RESEARCH (US) 2023-09-14 US disclosed
US-20230287466-A1 MODIFIED BACTERIA FOR PRODUCTION OF NITROAROMATICS UNIVERSITY OF FLORIDA RESEARCH (US) 2023-09-14 US disclosed
WO-2018081456-A1 HIGHLY ACTIVE SELF-SUFFICIENT NITRATION BIOCATALYSTS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2018-05-03 WO disclosed
US-20180044291-A1 ARTIFICIAL SELF-SUFFICIENT CYTOCHROME P450S UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED 2018-02-15 US disclosed
US-20180044291-A1 ARTIFICIAL SELF-SUFFICIENT CYTOCHROME P450S UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED 2018-02-15 US disclosed
US-20180044291-A1 ARTIFICIAL SELF-SUFFICIENT CYTOCHROME P450S UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED 2018-02-15 US disclosed
WO-2016134145-A9 ARTIFICIAL SELF-SUFFICIENT CYTOCHROME P450S UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2017-02-16 WO disclosed
WO-2016154434-A1 SELECTIVE ALPHA-7 NICOTINIC RECEPTOR AGONISTS AND METHODS FOR MAKING AND USING THEM THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2016-09-29 WO disclosed
WO-2016134145-A2 ARTIFICIAL SELF-SUFFICIENT CYTOCHROME P450S UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2016-08-25 WO disclosed
US-8466163-B2 Furo[2,3-d]pyrimidines and related compounds and methods for treating disease states by inhibiting tubulin polymerization BIONOMICS LIMITED (AU) 2013-06-18 US disclosed
US-20100048591-A1 CHEMICAL COMPOUNDS AND PROCESSES BIONOMICS LIMITED (AU) 2010-02-25 US disclosed
WO-2008070908-A1 CHEMICAL COMPOUNDS AND PROCESSES BIONOMICS LIMITED (AU) 2008-06-19 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 (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-20100048591-A1 CHEMICAL COMPOUNDS AND PROCESSES LTC4S, HNMT, SQLE PRKCI 1524/4885CYP2A6 247/4885PIK3CB 1125/4885
US-20180044291-A1 ARTIFICIAL SELF-SUFFICIENT CYTOCHROME P450S CYP4F2, POR, CYP4F3 PRKCI 2522/4885CYP2A6 27/4885PIK3CB 2800/4885

“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.