SCHEMBL6163820

SCHEMBL6163820

N=C(N)c1ccc2[nH]c(Cc3nc4ccccc4[nH]3)nc2c1

nearest known ligand 0.85

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
F10 P00742 12/20 0.85
F2 P00734 4/20 0.85
F7 P08709 3/20 0.85
TPSAB1 Q15661 3/20 0.72
PRSS1 P07477 2/20 0.72
PLG P00747 1/20 0.72
PLAU P00749 1/20 0.72
PRSS2 P07478 1/20 0.72
PRSS3 P35030 1/20 0.72
TPSD1 Q9BZJ3 1/20 0.70
TPSG1 Q9NRR2 1/20 0.70
KLK1 P06870 1/20 0.61
KLK5 Q9Y337 1/20 0.61

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
Hydrochloric Acid SCHEMBL30386514 0.99 F10 (0.82) F10F2F7TPSAB1PRSS1
Hydrochloric Acid SCHEMBL28579078 0.99 F10 (0.82) F10F2F7TPSAB1PRSS1
SCHEMBL65730 0.93 F10 (0.77) F10F2F7TPSAB1PRSS1
SCHEMBL7479169 0.92 F10 (0.71) F10F2F7TPSAB1PRSS1
SCHEMBL29354281 0.92 F10 (1.00) F10F2F7TPSAB1PRSS1
SCHEMBL4322200 0.91 TPSAB1 (0.78) F10F2F7TPSAB1PRSS1
SCHEMBL7406681 0.86 F10 (0.68) F10F2F7TPSAB1PRSS1
SCHEMBL7406105 0.86 F10 (0.68) F10F2F7TPSAB1PRSS1
SCHEMBL7406230 0.86 F10 (0.64) F10F2F7TPSAB1PRSS1
SCHEMBL7406430 0.85 F10 (0.76) F10F2F7TPSAB1PRSS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117964684-A MASP-2 inhibitors and methods of use 奥默罗斯公司 2024-05-03 CN disclosed
CN-117964683-A MASP-2 inhibitors and methods of use 奥默罗斯公司 2024-05-03 CN disclosed
US-20230145071-A1 MASP-2 INHIBITORS AND METHODS OF USE OMEROS CORPORATION 2023-05-11 US disclosed
US-11584714-B2 MASP-2 inhibitors and methods of use OMEROS CORPORATION (US) 2023-02-21 US disclosed
US-20210292436-A1 Methods of Inhibiting MASP-2 for the Treatment and/or Prevention of Coronavirus-induced Acute Respiratory Distress Syndrome OMEROS CORPORATION 2021-09-23 US disclosed
WO-2021178902-A1 METHODS OF INHIBITING MASP-2 FOR THE TREATMENT AND/OR PREVENTION OF CORONAVIRUS-INDUCED ACUTE RESPIRATORY DISTRESS SYNDROME OMEROS CORPORATION (US) 2021-09-10 WO disclosed
CN-112867706-A MASP-2 inhibitors and methods of use 奥默罗斯公司 2021-05-28 CN disclosed
US-20100324058-A1 THROMBIN FUNCTION COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS BASED ON THEM OBSCHESTVO S ORGANICHENNOI OTVETSTTVENNOCTIYOU "BIONIKA" (RU) 2010-12-23 US disclosed
US-20100324058-A1 THROMBIN FUNCTION COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS BASED ON THEM OBSCHESTVO S ORGANICHENNOI OTVETSTTVENNOCTIYOU "BIONIKA" (RU) 2010-12-23 US disclosed
WO-2009002228-A2 NEW THROMBIN FUNCTION COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS BASED ON THEM OBSCHESTVO S OGRANICHENNOI OTVETSTTVENNOCTIYU 'BIONIKA' (RU) 2008-12-31 WO disclosed
EP-0943008-B1 METAL MEDIATED SERINE PROTEASE INHIBITORS AXYS PHARM INC (US) 2005-11-09 EP disclosed
US-6355460-B1 DETECTING ENZYME INHIBITORS; INCUBATE ENZYME WITH MODULATOR, MONITOR SAMPLE FOR REDUCTION IN ENZYME ACTIVITY, REDUCTION IN ENZYME ACTIVITY INDICATES MODULATOR AXYS PHARMACEUTICALS, INC. 2002-03-12 US disclosed
US-6255091-B1 ASSAYING FOR ENHANCED INHIBITION OF SERINE PROTEASE IN A MEDIUM THAT IS DEVOID OF DISSACIATED DIVALENT METAL CATIONS AXYS PHARMACEUTICALS, INC. 2001-07-03 US disclosed
EP-0943008-A1 METAL MEDIATED SERINE PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 1999-09-22 EP disclosed
WO-1998022619-A1 METAL MEDIATED SERINE PROTEASE INHIBITORS ARRIS PHARMACEUTICAL CORPORATION (US) 1998-05-28 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 (4 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-11584714-B2 MASP-2 inhibitors and methods of use MASP2, METAP2, SPINT2 F10 4171/4885F2 4188/4885F7 4785/4885
US-20230145071-A1 MASP-2 INHIBITORS AND METHODS OF USE MASP2, METAP2, SPINT2 F10 4171/4885F2 4188/4885F7 4785/4885
US-20210292436-A1 Methods of Inhibiting MASP-2 for the Treatment and/or Prevention of Coronavirus-induced Acute Respiratory Distress Syndrome MASP2, ACE2, MAS1 F10 299/4885F2 36/4885F7 930/4885
US-20100324058-A1 THROMBIN FUNCTION COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS BASED ON THEM F2, PLAT, SERPINC1 F10 23/4885F2 1/4885F7 70/4885

“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.