SCHEMBL429692

SCHEMBL429692

COc1ccc(C(=N)N)cc1F

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.61
MAPK1 P28482 1/20 0.61
HTT P42858 1/20 0.61
RAB9A P51151 1/20 0.61
PRSS1 P07477 8/20 0.58
PRSS2 P07478 2/20 0.50
PRSS3 P35030 2/20 0.50
PLAU P00749 6/20 0.48
F2 P00734 1/20 0.47
PLG P00747 1/20 0.47
PLAT P00750 1/20 0.47
KLK1 P06870 1/20 0.47
PDE4A P27815 1/20 0.46
PDE4B Q07343 1/20 0.46
PDE4C Q08493 1/20 0.46
PDE4D Q08499 1/20 0.46
AR P10275 1/20 0.46
TAS1R3 Q7RTX0 1/20 0.46
TAS1R1 Q7RTX1 1/20 0.46

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 SCHEMBL9741360 0.98 PRSS1 (0.59) LMNAMAPK1HTTRAB9APRSS1
Hydrochloric Acid SCHEMBL9815151 0.96 LMNA (0.57) LMNAMAPK1HTTRAB9APRSS1
SCHEMBL10143507 0.85 PRSS1 (0.58) LMNAMAPK1HTTRAB9APRSS1
SCHEMBL3368852 0.84 PRSS1 (0.77) MAPK1PRSS1PRSS2PRSS3PLAU
Hydrochloric Acid SCHEMBL5112303 0.84 PRSS1 (0.59) LMNAPRSS1PRSS2PRSS3PLAU
Hydrochloric Acid SCHEMBL6287246 0.82 PRSS1 (0.77) PRSS1PRSS2PRSS3PLAU
SCHEMBL30278904 0.81 HTT (0.71) LMNAMAPK1HTTRAB9AAR
SCHEMBL3668139 0.81 HTT (0.61) LMNAMAPK1HTTRAB9APDE4A
SCHEMBL1477740 0.81 HTT (0.71) LMNAMAPK1HTTRAB9AAR
SCHEMBL20936840 0.80 LMNA (0.51) LMNAMAPK1HTTRAB9APRSS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3030565-B1 NOVEL SUBSTITUTED CONDENSED PYRIMIDINE COMPOUNDS GRUENENTHAL GMBH (DE) 2017-07-19 EP disclosed
US-9688683-B2 Substituted condensed pyrimidine compounds Grünenthal GmbH (DE) 2017-06-27 US disclosed
EP-3030565-A1 NOVEL SUBSTITUTED CONDENSED PYRIMIDINE COMPOUNDS Grünenthal GmbH (DE) 2016-06-15 EP disclosed
US-20160152624-A1 NOVEL SUBSTITUTED CONDENSED PYRIMIDINE COMPOUNDS Grünenthal GmbH (DE) 2016-06-02 US disclosed
WO-2015018534-A1 NOVEL SUBSTITUTED CONDENSED PYRIMIDINE COMPOUNDS Grünenthal GmbH (DE) 2015-02-12 WO 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
EP-2178874-A1 HETEROCYCLIC COMPOUNDS USEFUL AS MK2 INHIBITORS Novartis Ag (CH) 2010-04-28 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
EP-0339252-A2 2,5-disubstituted pyrazine derivatives, pyrimidine derivatives, and liquid crystal containing the same DAINIPPON INK AND CHEMICALS, INC. (JP) 1989-11-02 EP 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-20160152624-A1 NOVEL SUBSTITUTED CONDENSED PYRIMIDINE COMPOUNDS PDE4A, PDE4B, TYMP LMNA 2843/4885MAPK1 2807/4885HTT 4407/4885
US-20120022030-A1 Tetracyclic Lactame Derivatives TNF, RPS6KB2, RPS6KA2 LMNA 3998/4885MAPK1 1216/4885HTT 4191/4885
US-20090098218-A1 Tetracyclic Lactame Derivatives TNF, RPS6KB2, RPS6KA2 LMNA 3998/4885MAPK1 1216/4885HTT 4191/4885

“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.