SCHEMBL871141

SCHEMBL871141

N=C(N)c1ccc2nc(Cc3nc4ccc(C(=N)N)cc4[nH]3)[nH]c2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
F10 P00742 13/20 1.00
TPSAB1 Q15661 3/20 1.00
F2 P00734 3/20 1.00
PRSS1 P07477 2/20 1.00
PLG P00747 1/20 1.00
PLAU P00749 1/20 1.00
PRSS2 P07478 1/20 1.00
PRSS3 P35030 1/20 1.00
TPSD1 Q9BZJ3 1/20 0.97
TPSG1 Q9NRR2 1/20 0.97
F7 P08709 2/20 0.86

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
SCHEMBL29361696 1.00 F10 (1.00) F10TPSAB1F2PRSS1PLG
SCHEMBL29354281 0.93 F10 (1.00) F10TPSAB1F2PRSS1PLG
SCHEMBL29503461 0.90 F10 (0.82) F10TPSAB1F2PRSS1PLG
SCHEMBL30697529 0.89 F10 (0.80) F10TPSAB1F2PRSS1PLG
SCHEMBL27659973 0.88 F10 (0.78) F10TPSAB1F2PRSS1PLG
SCHEMBL65730 0.87 F10 (0.77) F10TPSAB1F2PRSS1PLG
SCHEMBL28757174 0.86 F10 (0.76) F10TPSAB1F2PRSS1PLG
SCHEMBL29625940 0.86 F10 (0.76) F10TPSAB1F2PRSS1PLG
SCHEMBL4322200 0.86 TPSAB1 (0.78) F10TPSAB1F2PRSS1PLG
SCHEMBL27639306 0.85 F10 (0.74) F10TPSAB1F2PRSS1PLG

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1933841-A Pharmaceutical composition comprising a benzodiazepine derivative and an inhibitor of the rsv fusion protein ARROW THERAPEUTICS LTD (GB) 2007-03-21 CN claimed
CN-113679931-A Drug coated balloon 因特尔赛克特耳鼻喉公司 2021-11-23 CN disclosed
CN-113423454-A Expandable member systems and methods for drug delivery 因特尔赛克特耳鼻喉公司 2021-09-21 CN disclosed
CN-107427668-B Drug coated balloon 因特尔赛克特耳鼻喉公司 2021-09-03 CN disclosed
CN-212140660-U Degradable lacrimal duct tube 上海视鉴医疗器械有限公司 2020-12-15 CN disclosed
EP-2376074-B1 METHOD FOR IMPROVED BIOACTIVATION OF MEDICATIONS DRITTE PATENTPORTFOLIO BETEILI (DE) 2019-03-13 EP disclosed
EP-2376074-B1 METHOD FOR IMPROVED BIOACTIVATION OF MEDICATIONS DRITTE PATENTPORTFOLIO BETEILI (DE) 2019-03-13 EP disclosed
US-20120077876-A1 Method For Improved Bioactivation Of Pharmaceuticals DRITTE PATENTPORTFOLIO BETEILIGUNGSGESELLSCHAFT MBH & CO. KG (DE) 2012-03-29 US disclosed
US-20120077876-A1 Method For Improved Bioactivation Of Pharmaceuticals DRITTE PATENTPORTFOLIO BETEILIGUNGSGESELLSCHAFT MBH & CO. KG (DE) 2012-03-29 US disclosed
US-20120077876-A1 Method For Improved Bioactivation Of Pharmaceuticals DRITTE PATENTPORTFOLIO BETEILIGUNGSGESELLSCHAFT MBH & CO. KG (DE) 2012-03-29 US disclosed
US-7994225-B2 Combination of an antibiotic and a drug such as pentamidine or salts thereof to treat drug resistant eye and ear infections REMPEX PHARMACEUTICALS, INC. (US) 2011-08-09 US disclosed
US-7947741-B2 Use and administration of bacterial efflux pump inhibitors MPEX PHARMACEUTICALS, INC. (US) 2011-05-24 US disclosed
US-20080132457-A1 BACTERIAL EFFLUX PUMP INHIBITORS FOR THE TREATMENT OF OPHTHALMIC AND OTIC INFECTIONS SILICON VALLEY BANK 2008-06-05 US disclosed
US-20080076738-A1 Phosphonate Analogs Of Hiv Integrase Inhibitor Compounds GILEAD SCIENCES, INC. 2008-03-27 US disclosed
US-20080076738-A1 Phosphonate Analogs Of Hiv Integrase Inhibitor Compounds GILEAD SCIENCES, INC. 2008-03-27 US disclosed
CN-1933841-A Pharmaceutical composition comprising a benzodiazepine derivative and an inhibitor of the rsv fusion protein ARROW THERAPEUTICS LTD (GB) 2007-03-21 CN 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 (3 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-20080132457-A1 BACTERIAL EFFLUX PUMP INHIBITORS FOR THE TREATMENT OF OPHTHALMIC AND OTIC INFECTIONS ABCB11, SLC47A2, SLC47A1 F10 3948/4885TPSAB1 2872/4885F2 4843/4885
US-20080076738-A1 Phosphonate Analogs Of Hiv Integrase Inhibitor Compounds TYMP, PNP, PIKFYVE F10 4311/4885TPSAB1 3148/4885F2 4320/4885
US-20120077876-A1 Method For Improved Bioactivation Of Pharmaceuticals CYP2B6, CYP1A2, CYP2D6 F10 1069/4885TPSAB1 202/4885F2 107/4885

“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.