SCHEMBL6845000

SCHEMBL6845000

Cc1ccc2cnc(C)cc2c1

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 6/20 0.61
CYP2A6 P11509 5/20 0.61
CCR1 P32246 2/20 0.52
CCR5 P51681 2/20 0.52
CCR8 P51685 2/20 0.52
UHRF1 Q96T88 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
ALDH1A1 P00352 3/20 0.41
NCK1 P16333 1/20 0.41
BACE1 P56817 1/20 0.41
KDM4E B2RXH2 1/20 0.37
PSMD14 O00487 1/20 0.37
COPS5 Q92905 1/20 0.37
USP2 O75604 1/20 0.37
HPGD P15428 1/20 0.37
TSHR P16473 1/20 0.37
MAPK1 P28482 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HSD17B10 Q99714 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
SCHEMBL29404737 0.91 CYP1A2 (0.61) CYP1A2CYP2A6CCR1CCR5CCR8
SCHEMBL8404528 0.91 CYP1A2 (0.61) CYP1A2CYP2A6CCR1CCR5CCR8
SCHEMBL21632461 0.80 CYP1A2 (0.59) CYP1A2CYP2A6CCR1CCR5CCR8
SCHEMBL18266965 0.80 CYP1A2 (0.64) CYP1A2CYP2A6CCR1CCR5CCR8
SCHEMBL2320872 0.78 CYP1A2 (0.57) CYP1A2CYP2A6CCR1CCR5CCR8
SCHEMBL1028024 0.78 CYP2A6 (0.57) CYP1A2CYP2A6CCR1CCR5CCR8
SCHEMBL16488083 0.78 CYP1A2 (0.52) CYP1A2CYP2A6CCR1CCR5CCR8
SCHEMBL18574471 0.78 CYP1A2 (0.52) CYP1A2CYP2A6CCR1CCR5CCR8
SCHEMBL7990724 0.78 CYP1A2 (0.57) CYP1A2CYP2A6CCR1CCR5CCR8
SCHEMBL1563936 0.78 CYP1A2 (0.57) CYP1A2CYP2A6CCR1CCR5CCR8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3463469-B1 COMBINATION OF LEDIPASVIR AND SOFOSBUVIR FOR USE IN THE TREATMENT OF HEPATITIS B VIRUS INFECTIONS IN HUMANS GILEAD SCIENCES INC (US) 2023-12-13 EP disclosed
US-20230365560-A1 COMPOUNDS AND USES THEREOF FOGHORN THERAPEUTICS INC. 2023-11-16 US disclosed
US-20230286945-A1 ISOQUINOLIN-3-YL CARBOXAMIDES AND PREPARATION AND USE THEREOF TENARX, INC. 2023-09-14 US disclosed
US-11673881-B2 Isoquinolin-3-yl carboxamides and preparation and use thereof BIOSPLICE THERAPEUTICS, INC. (US) 2023-06-13 US disclosed
WO-2022199256-A1 COMPOUND, ORGANIC ELECTROLUMINESCENT DEVICE, ELECTRONIC APPARATUS 陕西莱特光电材料股份有限公司 2022-09-29 WO disclosed
WO-2022161420-A1 CLASS OF HETEROAROMATIC COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF 上海翊石医药科技有限公司 2022-08-04 WO disclosed
CN-111777553-B Preparation method of isoquinoline compounds 苏州大学 2022-03-18 CN disclosed
EP-1857521-B2 ORGANIC ELECTRIC FIELD LIGHT EMITTING ELEMENT AND PRODUCTION THEREFOR MITSUBISHI CHEM CORP (JP) 2021-12-22 EP disclosed
EP-3828172-A1 DUAL MECHANISM INHIBITORS FOR THE TREATMENT OF DISEASE Aerie Pharmaceuticals, Inc. (US) 2021-06-02 EP disclosed
EP-3825312-A1 INTERMEDIATES FOR PREPARING INHIBITORS OF HEPATITIS C VIRUS Gilead Pharmasset LLC (US) 2021-05-26 EP disclosed
US-20100266556-A1 METHOD FOR EXPANDING HEMATOPOIETIC STEM CELLS USING HETEROCYCLIC COMPOUND NISSAN CHEMICAL INDUSTRIES LTD. (JP) 2010-10-21 US disclosed
US-20100266556-A1 METHOD FOR EXPANDING HEMATOPOIETIC STEM CELLS USING HETEROCYCLIC COMPOUND NISSAN CHEMICAL INDUSTRIES LTD. (JP) 2010-10-21 US disclosed
WO-2009131926-A1 QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS BRISTOL-MYERS SQUIBB COMPANY (US) 2009-10-29 WO disclosed
US-20090192154-A1 SULTAM DERIVATIVES ASAHI KASEI PHARMA CORPORATION (JP) 2009-07-30 US disclosed
US-20090066223-A1 ORGANIC ELECTRIC FIELD LIGHT EMITTING ELEMENT AND PRODUCTION THEREFOR MITSUBISHI CHEMICAL CORPORATION (JP) 2009-03-12 US disclosed
WO-2009023193-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INCORPORATED (US) 2009-02-19 WO disclosed
EP-1857521-A1 ORGANIC ELECTRIC FIELD LIGHT EMITTING ELEMENT AND PRODUCTION THEREFOR Mitsubishi Chemical Corporation (JP) 2007-11-21 EP disclosed
US-20070149533-A1 Bicyclic compounds with kinase inhibitory activity MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-06-28 US disclosed
WO-2004064842-A1 AMIDE AND ESTER MATRIX METALLOPROTEINASE INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2004-08-05 WO disclosed
WO-2004014384-A2 CYCLIC COMPOUNDS CONTAINING ZINC BINDING GROUPS AS MATRIX METALLOPROTEINASE INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2004-02-19 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 (6 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-20100266556-A1 METHOD FOR EXPANDING HEMATOPOIETIC STEM CELLS USING HETEROCYCLIC COMPOUND HCLS1, RUNX1, ACIN1 CYP1A2 2808/4885CYP2A6 2755/4885CCR1 329/4885
US-11673881-B2 Isoquinolin-3-yl carboxamides and preparation and use thereof DYRK1A, DYRK3, DYRK1B CYP1A2 3253/4885CYP2A6 3362/4885CCR1 3348/4885
US-20230286945-A1 ISOQUINOLIN-3-YL CARBOXAMIDES AND PREPARATION AND USE THEREOF WNT1, WNT3, WNT3A CYP1A2 2220/4885CYP2A6 3013/4885CCR1 4195/4885
US-20230365560-A1 COMPOUNDS AND USES THEREOF BRCA1, VHL, TFEB CYP1A2 1097/4885CYP2A6 662/4885CCR1 4755/4885
US-20070149533-A1 Bicyclic compounds with kinase inhibitory activity MAP3K20, MAP3K1, MAP3K5 CYP1A2 3219/4885CYP2A6 3698/4885CCR1 3494/4885
US-20090192154-A1 SULTAM DERIVATIVES SULT1A1, SULT2A1, ADAMTS1 CYP1A2 1655/4885CYP2A6 1111/4885CCR1 3762/4885

“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.