SCHEMBL4289948

SCHEMBL4289948

CCCc1cncc(C)c1

nearest known ligand 0.61

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TKT P29401 1/20 0.44
NOS1 P29475 1/20 0.42
NOS2 P35228 1/20 0.42
CYP11B1 P15538 9/20 0.40
CYP11B2 P19099 9/20 0.40
CYP3A4 P08684 1/20 0.40
CHRNB2 P17787 1/20 0.38
CHRNA4 P43681 1/20 0.38
HCAR2 Q8TDS4 1/20 0.38

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
SCHEMBL9921224 0.87 TDP1 (0.44) TKTNOS1NOS2CYP11B1CYP11B2
SCHEMBL16390248 0.85 NOS1 (0.42) NOS1NOS2CHRNB2CHRNA4
SCHEMBL19909213 0.85 TDP1 (0.52) NOS1NOS2CYP3A4
SCHEMBL20937692 0.84 TDP1 (0.50) CYP3A4
SCHEMBL19909082 0.84 TDP1 (0.50) CYP3A4
SCHEMBL19909258 0.84 TDP1 (0.50) CYP3A4
SCHEMBL4410512 0.82 NOS1 (0.42) TKTNOS1NOS2CYP11B1CYP11B2
SCHEMBL30768308 0.81
SCHEMBL4783955 0.81
SCHEMBL6630716 0.80 TKT (0.54) TKTNOS1NOS2CYP11B1CYP11B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11833229-B2 Labeling precursors with squaric acid coupling SCV SPEZIAL-CHEMIKALIEN-VERTRIEBS GMBH (DE) 2023-12-05 US disclosed
US-20230310428-A1 EGFR INHIBITOR AND PREPARATION METHOD AND USE THEREOF Hongyun Biotech Co., Ltd. (CN) 2023-10-05 US disclosed
US-11254686-B1 Compounds and methods for modulating adenosine A2B receptor and adenosine A2A receptor CORVUS PHARMACEUTICALS, INC. (US) 2022-02-22 US disclosed
EP-3008068-B1 TETRAAZA-CYCLOPENTA[A]INDENYL DERIVATIVES ASCENEURON SA (CH) 2020-12-30 EP disclosed
WO-2019067864-A1 COMBINATION PHARMACEUTICAL AGENTS AS RSV INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2019-04-04 WO disclosed
WO-2018128720-A1 URACIL CONTAINING COMPOUNDS CV6 THERAPEUTICS (NI) LIMITED (GB) 2018-07-12 WO disclosed
US-9670172-B2 Heterocyclic compounds and methods of use MEDIVATION TECHNOLOGIES, INC. (US) 2017-06-06 US disclosed
US-9637477-B2 Therapeutic substituted pyrroles ALLERGAN, INC. (US) 2017-05-02 US disclosed
US-20150336940-A1 THERAPEUTIC SUBSTITUTED PYRROLES ALLERGAN, INC. 2015-11-26 US disclosed
US-9193728-B2 Fused tetracyclic pyrido [4,3-B] indole and pyrido [3,4-B] indole derivatives and methods of use MEDIVATION TECHNOLOGIES, INC. (US) 2015-11-24 US disclosed
US-20130210803-A1 FUSED TETRACYCLIC PYRIDO [4,3-B] INDOLE AND PYRIDO [3,4-B] INDOLE DERIVATIVES AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. 2013-08-15 US disclosed
US-20130190359-A1 BRIDGED HETEROCYCLIC COMPOUNDS AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. (US) 2013-07-25 US disclosed
US-20130172366-A1 BRIDGED HETEROCYCLIC COMPOUNDS AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. 2013-07-04 US disclosed
US-20120165345-A1 Heterocyclic compounds as pesticides BAYER CROPSCIENCE AG (DE) 2012-06-28 US disclosed
WO-2010107742-A2 METHODS AND COMPOSITIONS OF TREATING A FLAVIVIRIDAE FAMILY VIRAL INFECTION THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2010-09-23 WO disclosed
WO-2010107739-A2 METHODS AND COMPOSITIONS OF TREATING A FLAVIVIRIDAE FAMILY VIRAL INFECTION THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2010-09-23 WO disclosed
WO-2009153536-A1 1-AZA-BICYCLO [2.2.2] OCTANE DERIVATIVES USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS ARGENTA DISCOVERY LIMITED (GB) 2009-12-23 WO disclosed
US-4871848-A OIL, GAS WELLS CORROSION INHIBITORS THE DOW CHEMICAL COMPANY (US) 1989-10-03 US disclosed
US-4740320-A REACTION OF NITROGEN-CONTAINING AROMATIC HETEROCYCLIC COMPONENT, KETONE OR ALDEHYDE, AMINE OR POLYAMINE THE DOW CHEMICAL COMPANY (US) 1988-04-26 US disclosed
US-4725373-A CORROSION RESISTANCE FOR METAL TOOLS AND EQUIPMENT USED IN OIL AND GAS WELLS THE DOW CHEMICAL COMPANY (US) 1988-02-16 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-20130190359-A1 BRIDGED HETEROCYCLIC COMPOUNDS AND METHODS OF USE HRH4, HNMT, HTR2C TKT 1595/4885NOS1 3141/4885NOS2 2996/4885
US-11254686-B1 Compounds and methods for modulating adenosine A2B receptor and adenosine A2A receptor ADORA2A, ADORA2B, ADORA3 TKT 3263/4885NOS1 3597/4885NOS2 2235/4885
US-20150336940-A1 THERAPEUTIC SUBSTITUTED PYRROLES PTGS2, PTGES2, PTGIS TKT 1882/4885NOS1 253/4885NOS2 40/4885
US-20230310428-A1 EGFR INHIBITOR AND PREPARATION METHOD AND USE THEREOF EGFR, ERBB2, ERBB4 TKT 1513/4885NOS1 2466/4885NOS2 2587/4885
US-20130172366-A1 BRIDGED HETEROCYCLIC COMPOUNDS AND METHODS OF USE HRH4, HNMT, HTR2C TKT 1595/4885NOS1 3141/4885NOS2 2996/4885
US-20120165345-A1 Heterocyclic compounds as pesticides DDT, ACHE, PTMS TKT 2342/4885NOS1 2996/4885NOS2 2951/4885
US-20130210803-A1 FUSED TETRACYCLIC PYRIDO [4,3-B] INDOLE AND PYRIDO [3,4-B] INDOLE DERIVATIVES AND METHODS OF USE HTR4, HTR3B, HTR2C TKT 351/4885NOS1 4476/4885NOS2 4350/4885
US-11833229-B2 Labeling precursors with squaric acid coupling SCLY, SRRT, CS TKT 65/4885NOS1 1328/4885NOS2 1693/4885

“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.