Sugi Predict

Sugi Predict / Compounds / SCHEMBL2120779

SCHEMBL2120779

SCHEMBL2120779

CCn1ccc2c(C)cccc21

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HTR2C P28335 4/20 0.62
▸ HTR2A P28223 2/20 0.62
▸ P2RX7 Q99572 1/20 0.45
▸ PRMT5 O14744 1/20 0.45
▸ CCR4 P51679 1/20 0.42
▸ CYP1A2 P05177 1/20 0.41
▸ CYP2A6 P11509 1/20 0.41
▸ MPO P05164 1/20 0.39
▸ HTR6 P50406 1/20 0.39
▸ FABP4 P15090 1/20 0.37
▸ TRPM5 Q9NZQ8 1/20 0.37
▸ CSNK1D P48730 1/20 0.36
▸ ALKBH5 Q6P6C2 1/20 0.36
▸ FTO Q9C0B1 1/20 0.36

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
SCHEMBL21388274 0.85 HTR2C (0.58) HTR2CHTR2AP2RX7PRMT5CYP1A2
SCHEMBL14981465 0.82 HTR2C (0.55) HTR2CHTR2AP2RX7PRMT5CYP1A2
SCHEMBL24656041 0.81 HTR2C (0.58) HTR2CHTR2AP2RX7PRMT5CYP1A2
SCHEMBL2561283 0.79 HTR2C (0.57) HTR2CHTR2AP2RX7PRMT5CYP1A2
SCHEMBL13090966 0.79 HTR2C (0.57) HTR2CHTR2AP2RX7PRMT5HTR6
SCHEMBL18314123 0.78 GRM2 (0.42) HTR2CHTR2ACCR4MPOHTR6
SCHEMBL15676789 0.78 MPO (0.47) HTR2CHTR2ACCR4MPOHTR6
SCHEMBL4323537 0.78 HTR2C (0.63) HTR2CHTR2ACCR4MPOHTR6
SCHEMBL913801 0.78 MPO (0.44) HTR2CHTR2ACCR4MPOHTR6
SCHEMBL10311225 0.78 HTR2C (0.63) HTR2CHTR2AP2RX7PRMT5CCR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3298003-B1 BENZOIMIDAZOLE DERIVATIVES AS PAD4 INHIBITORS GLAXOSMITHKLINE IP DEV LTD (GB) 2023-04-19 — — EP disclosed
EP-3298003-B1 BENZOIMIDAZOLE DERIVATIVES AS PAD4 INHIBITORS GLAXOSMITHKLINE IP DEV LTD (GB) 2023-04-19 — — EP disclosed
CN-107849015-B Benzimidazole derivatives as PAD4 inhibitors 葛兰素知识产权发展有限公司 2021-03-19 — — CN disclosed
US-10815218-B2 Benzoimidazole derivatives as PAD4 inhibitors GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2020-10-27 — — US disclosed
US-10815218-B2 Benzoimidazole derivatives as PAD4 inhibitors GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2020-10-27 — — US disclosed
US-20200095227-A1 BENZOIMIDAZOLE DERIVATIVES AS PAD4 INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2020-03-26 — — US disclosed
CN-110272323-A A kind of microwave assisted synthesizing method of ethylation reaction 广东石油化工学院 2019-09-24 — — CN disclosed
US-10407407-B2 Benzoimidazole derivatives as PAD4 inhibitors GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2019-09-10 — — US disclosed
US-10407407-B2 Benzoimidazole derivatives as PAD4 inhibitors GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2019-09-10 — — US disclosed
US-20180297983-A1 BENZOIMIDAZOLE DERIVATIVES AS PAD4 INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2018-10-18 — — US disclosed
US-8569504-B2 Imidazopyridine compound ONO PHARMACEUTICAL CO., LTD. (JP) 2013-10-29 — — US disclosed
WO-2013078468-A1 SELECTIVE KINASE INHIBITORS PORTOLA PHARMACEUTICALS, INC. (US) 2013-05-30 — — WO disclosed
US-8329718-B2 N-linked heterocyclic antagonists of P2Y1 receptor useful in the treatment of thrombotic conditions BRISTOL-MYERS SQUIBB COMPANY (US) 2012-12-11 — — US disclosed
EP-2444401-A1 NOVEL IMIDAZOPYRIDINE COMPOUND ONO Pharmaceutical Co., Ltd. (JP) 2012-04-25 — — EP disclosed
US-20120094944-A1 NOVEL IMIDAZOPYRIDINE COMPOUND ONO PHARMACEUTICAL CO., LTD. (JP) 2012-04-19 — — US disclosed
WO-2010123139-A1 ARYLCARBOXAMIDE DERIVATIVE HAVING SULFAMOYL GROUP 持田製薬株式会社 (JP) 2010-10-28 — — WO disclosed
US-20100197716-A1 N-LINKED HETEROCYCLIC ANTAGONISTS OF P2Y1 RECEPTOR USEFUL IN THE TREATMENT OF THROMBOTIC CONDITIONS BRISTOL-MYERS SQUIBB COMPANY 2010-08-05 — — US disclosed
US-7728008-B2 N-linked heterocyclic antagonists of P2Y1 receptor useful in the treatment of thrombotic conditions BRISTOL-MYERS SQUIBB COMPANY (US) 2010-06-01 — — US disclosed
US-7550499-B2 Urea antagonists of P2Y1 receptor useful in the treatment of thrombotic conditions BRISTOL-MYERS SQUIBB COMPANY (US) 2009-06-23 — — US disclosed
US-4443615-A ANILINE, GLYCOL OR EPOXIDE, SILICA AND/OR ALUMINA CATALYST TANABE SEIYAKU CO., LTD. (JP) 1984-04-17 — — 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 (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-20180297983-A1 BENZOIMIDAZOLE DERIVATIVES AS PAD4 INHIBITORS PADI4, PADI1, PADI2 HTR2C 4706/4885HTR2A 4841/4885P2RX7 885/4885
US-10407407-B2 Benzoimidazole derivatives as PAD4 inhibitors PADI4, PADI1, PADI2 HTR2C 4706/4885HTR2A 4841/4885P2RX7 885/4885
US-20100197716-A1 N-LINKED HETEROCYCLIC ANTAGONISTS OF P2Y1 RECEPTOR USEFUL IN THE TREATMENT OF THROMBOTIC CONDITIONS P2RY1, P2RY11, P2RY13 HTR2C 282/4885HTR2A 295/4885P2RX7 11/4885
US-20120094944-A1 NOVEL IMIDAZOPYRIDINE COMPOUND CMA1, ACE, ALPI HTR2C 4434/4885HTR2A 4371/4885P2RX7 2432/4885
US-20200095227-A1 BENZOIMIDAZOLE DERIVATIVES AS PAD4 INHIBITORS PADI4, PADI1, PADI2 HTR2C 4706/4885HTR2A 4841/4885P2RX7 885/4885
US-10815218-B2 Benzoimidazole derivatives as PAD4 inhibitors PADI4, PADI1, PADI2 HTR2C 4706/4885HTR2A 4841/4885P2RX7 885/4885

“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.