SCHEMBL10353034

SCHEMBL10353034

Clc1ccc(-c2cnccn2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.60
NPC1 O15118 2/20 0.60
PKM P14618 1/20 0.60
CYP2D6 P10635 2/20 0.51
CYP2C9 P11712 2/20 0.51
CYP19A1 P11511 2/20 0.51
CYP2C19 P33261 1/20 0.51
CYP3A4 P08684 1/20 0.49
HSD11B1 P28845 1/20 0.49
SLC6A2 P23975 1/20 0.47
SLC6A4 P31645 1/20 0.47
SLC6A3 Q01959 1/20 0.47
NPY5R Q15761 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
KDM4E B2RXH2 3/20 0.44
ALDH1A1 P00352 1/20 0.44
TERT O14746 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
METAP2 P50579 1/20 0.44
NOTUM Q6P988 1/20 0.44

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
SCHEMBL11541937 0.89 CYP2D6 (0.60) RAB9ANPC1PKMCYP2D6CYP2C9
SCHEMBL29661988 0.81 NPC1 (0.55) RAB9ANPC1PKMCYP2D6CYP2C9
SCHEMBL7143203 0.80 NPC1 (0.50) RAB9ANPC1PKMCYP2D6CYP2C9
SCHEMBL12615054 0.80 NPC1 (0.47) RAB9ANPC1PKMCYP2D6CYP2C9
SCHEMBL17246864 0.79 CYP19A1 (0.52) RAB9ANPC1PKMCYP2D6CYP2C9
SCHEMBL29683245 0.79 CYP19A1 (0.52) RAB9ANPC1PKMCYP2D6CYP2C9
SCHEMBL999538 0.78 CYP19A1 (0.51) RAB9ANPC1PKMCYP2D6CYP2C9
SCHEMBL1109087 0.78 CYP2D6 (0.56) RAB9ANPC1CYP2D6CYP2C9CYP19A1
SCHEMBL8467929 0.78 CYP2D6 (0.51) RAB9ANPC1PKMCYP2D6CYP2C9
SCHEMBL31140236 0.78 CYP2D6 (0.56) RAB9ANPC1CYP2D6CYP2C9CYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108250677-B Polymer-based composite material containing filler particle three-dimensional network and preparation method thereof 中国科学院深圳先进技术研究院 2022-10-14 CN claimed
CN-114479734-A Insulating adhesive film, preparation method and application thereof 深圳先进电子材料国际创新研究院 2022-05-13 CN claimed
US-20150168415-A1 COMPOUNDS AND METHODS FOR ANALYSIS AND SYNTHESIS OF SACCHARIDE COMPOUNDS ACADEMIA SINICA (TW) 2015-06-18 US claimed
JP-61257978-A None JP disclosed
CN-114276304-B A process for preparing 1, 5-benzodiazepine derivatives as pharmaceutical intermediates containing fused rings 南京苏亦欣医药科技有限公司 2024-07-02 CN disclosed
CN-114890952-B Preparation method of 5-halogeno-2-aminobenzoazacyclic compound 重庆医科大学 2023-06-06 CN disclosed
WO-2023078337-A1 CDK8/19 DUAL INHIBITORS AND METHODS OF USE INSILICO MEDICINE IP LIMITED (CN) 2023-05-11 WO disclosed
CN-115135697-A Process for producing polythioether compound 株式会社大赛璐 2022-09-30 CN disclosed
CN-114479734-A Insulating adhesive film, preparation method and application thereof 深圳先进电子材料国际创新研究院 2022-05-13 CN disclosed
CN-113278149-A Process for producing polythioether compound 株式会社大赛璐 2021-08-20 CN disclosed
US-20190194202-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CHEMICAL WARFARE AGENT-INDUCED INJURIES ELI LILLY AND COMPANY 2019-06-27 US disclosed
CN-1930162-A Tetrahydropyridoindole derivatives ACTELION PHARMACEUTICALS LTD (CH) 2007-03-14 CN disclosed
CN-1886405-A Pyrrolo-pyrazine derivatives useful as CB1-modulators ASTRAZENECA AB (SE) 2006-12-27 CN disclosed
CN-1105111-C Pyrazine compounds GLAXO GROUP LTD (GB) 2003-04-09 CN disclosed
CN-1324349-A Pyrazine compounds GLAXO GROUP LTD (GB) 2001-11-28 CN disclosed
CN-1253551-A Pyrazine compounds GLAXO GROUP LTD (GB) 2000-05-17 CN disclosed
EP-0204172-B1 PHENYLPYRAZINE DERIVATIVES, PROCESSES FOR PREPARING THEM, PHARMACEUTICAL COMPOSITION AND USE SUNTORY LIMITED (JP) 1990-09-19 EP disclosed
US-4755514-A Phenylpyrazine derivatives and thrombolytic agent SUNTORY LIMITED (JP) 1988-07-05 US disclosed
EP-0204172-A2 Phenylpyrazine derivatives, processes for preparing them, pharmaceutical composition and use SUNTORY LIMITED (JP) 1986-12-10 EP disclosed
JP-S61257978-A PHENYLPYRAZINE DERIVATIVE AND ANTITHROMBOTIC AGENT SUNTORY LTD 1986-11-15 JP 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-20190194202-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CHEMICAL WARFARE AGENT-INDUCED INJURIES ELANE, CASP3, MMP8 RAB9A 1580/4885NPC1 2375/4885PKM 3563/4885
US-20150168415-A1 COMPOUNDS AND METHODS FOR ANALYSIS AND SYNTHESIS OF SACCHARIDE COMPOUNDS MPI, GPI, FUT6 RAB9A 3641/4885NPC1 4187/4885PKM 1158/4885

“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.