SCHEMBL428950

SCHEMBL428950

CCOc1ccc(C(=N)N)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 8/20 1.00
PRSS2 P07478 1/20 1.00
PRSS3 P35030 1/20 1.00
TMPRSS2 O15393 2/20 0.68
PRMT1 Q99873 3/20 0.66
F2 P00734 2/20 0.66
ST14 Q9Y5Y6 2/20 0.66
PARP10 Q53GL7 1/20 0.66
PLAU P00749 1/20 0.66
PRMT5 O14744 1/20 0.66
SLC22A2 O15244 1/20 0.66
SLC22A1 O15245 1/20 0.66
PTP4A3 O75365 1/20 0.66
SLC22A3 O75751 1/20 0.66
F10 P00742 1/20 0.66
PLG P00747 1/20 0.66
S100B P04271 1/20 0.66
CHRM2 P08172 1/20 0.66
CHRM4 P08173 1/20 0.66
CHRM5 P08912 1/20 0.66

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 SCHEMBL11613449 0.98 PRSS1 (0.96) PRSS1PRSS2PRSS3TMPRSS2PRMT1
SCHEMBL10492891 0.87 PRSS1 (0.75) PRSS1PRSS2PRSS3TMPRSS2PRMT1
SCHEMBL23902238 0.85 PRSS1 (0.79) PRSS1PRSS2PRSS3F2ST14
Hydrochloric Acid SCHEMBL11151164 0.85 PRSS1 (0.73) PRSS1PRSS2PRSS3TMPRSS2F2
SCHEMBL9647355 0.84 PRSS1 (0.78) PRSS1PRSS2PRSS3TMPRSS2PRMT1
SCHEMBL9650651 0.84 PRSS1 (0.81) PRSS1PRSS2PRSS3TMPRSS2PRMT1
SCHEMBL12348319 0.83 PRSS1 (0.76) PRSS1PRSS2PRSS3TMPRSS2PRMT1
SCHEMBL6486178 0.83 PRSS1 (0.70) PRSS1PRSS2PRSS3PARP10
Hydrochloric Acid SCHEMBL11182186 0.82 PRSS1 (0.82) PRSS1PRSS2PRSS3TMPRSS2PRMT1
Hydrochloric Acid SCHEMBL11614015 0.82 PRSS1 (0.79) PRSS1PRSS2PRSS3TMPRSS2PRMT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3345894-A1 COMPOUND HAVING PROTEIN TYROSINE PHOSPHATASE SHP-1 AGONIST ACTIVITY Chen, Kuenfeng (TW) 2018-07-11 EP disclosed
US-20170298057-A1 DEUTERATED O-SULFATED BETA LACTAM HYDROXAMIC ACIDS AND DEUTERATED N- SULFATED BETA LACTAMS ARIXA PHARMACEUTICALS, INC. 2017-10-19 US disclosed
WO-2017180794-A1 DEUTERATED O-SULFATED BETA-LACTAM HYDROXAMIC ACIDS AND DEUTERATED N-SULFATED BETA-LACTAMS SKYLINE ANTIINFECTIVES, INC. (US) 2017-10-19 WO disclosed
US-20130059869-A1 METHODS AND COMPOSITIONS FOR TREATING DISORDERS HYDRA BIOSCIENCES, INC. 2013-03-07 US disclosed
US-20120022030-A1 Tetracyclic Lactame Derivatives NOVARTIS AG 2012-01-26 US disclosed
US-7838674-B2 2-(1-amino-cyclobutylmethyl)-8-(4-methoxy-phenyl)-4,5-dihydro-1 H-1,7,9-triazacyclopenta[a]naph-thalene-3-carboxylic acid lactame; useful especially as inhibitors of mitogen-activated protein kinase-activated protein kinase-2 (MK2 or MAPKAP kinase-2 NOVARTIS AG (CH) 2010-11-23 US disclosed
US-7825154-B2 Small molecule inhibitors of botulinum neurotoxins THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE ARMY (US) 2010-11-02 US disclosed
EP-2178874-A1 HETEROCYCLIC COMPOUNDS USEFUL AS MK2 INHIBITORS Novartis Ag (CH) 2010-04-28 EP disclosed
EP-1383731-B1 BIARYL COMPOUNDS AS SERINE PROTEASE INHIBITORS BIOCRYST PHARM INC (US) 2009-08-05 EP disclosed
US-20090098218-A1 Tetracyclic Lactame Derivatives NOVARTIS AG 2009-04-16 US disclosed
WO-2009010488-A1 HETEROCYCLIC COMPOUNDS USEFUL AS MK2 INHIBITORS NOVARTIS AG (CH) 2009-01-22 WO disclosed
US-20090012107-A1 Antiviral Compounds and Methods of Using Thereof U.S. ARMY MEDICAL RESEARCH AND MATERIEL COMMAND 2009-01-08 US disclosed
US-5112523-A High clearing point for liquid crystal displays CHISSO CORPORATION (JP) 1992-05-12 US disclosed
US-4874546-A LIQUID CRYSTALS CHISSO CORPORATION (JP) 1989-10-17 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 (5 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-20170298057-A1 DEUTERATED O-SULFATED BETA LACTAM HYDROXAMIC ACIDS AND DEUTERATED N- SULFATED BETA LACTAMS DDOST, LBR, STS PRSS1 295/4885PRSS2 255/4885PRSS3 270/4885
US-20090012107-A1 Antiviral Compounds and Methods of Using Thereof ZC3HAV1, MAVS, ZC3HAV1L PRSS1 548/4885PRSS2 558/4885PRSS3 568/4885
US-20120022030-A1 Tetracyclic Lactame Derivatives TNF, RPS6KB2, RPS6KA2 PRSS1 2054/4885PRSS2 866/4885PRSS3 2920/4885
US-20130059869-A1 METHODS AND COMPOSITIONS FOR TREATING DISORDERS TRPA1, TRPV1, TRPV3 PRSS1 2883/4885PRSS2 2422/4885PRSS3 2006/4885
US-20090098218-A1 Tetracyclic Lactame Derivatives TNF, RPS6KB2, RPS6KA2 PRSS1 2054/4885PRSS2 866/4885PRSS3 2920/4885

“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.