SCHEMBL428473

SCHEMBL428473

N=C(N)c1ccc(/C=C/c2ccccc2)cc1

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRMT1 Q99873 2/20 0.83
PRMT5 O14744 1/20 0.83
ALDH1A1 P00352 1/20 0.83
HPGD P15428 1/20 0.83
CYP2C19 P33261 1/20 0.83
HSD17B10 Q99714 1/20 0.83
PLAU P00749 3/20 0.71
PLG P00747 2/20 0.71
PLAT P00750 2/20 0.71
KLK1 P06870 2/20 0.71
F2 P00734 4/20 0.62
F10 P00742 4/20 0.62
F12 P00748 1/20 0.62
F7 P08709 1/20 0.62
F3 P13726 1/20 0.62
PKM P14618 1/20 0.62
BLM P54132 1/20 0.60
WDR5 P61964 1/20 0.59
NQO2 P16083 3/20 0.59
PRSS1 P07477 1/20 0.58

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
SCHEMBL428474 1.00 PRMT1 (0.83) PRMT1PRMT5ALDH1A1HPGDCYP2C19
Hydrochloric Acid SCHEMBL11333164 0.98 PRMT1 (0.79) PRMT1PRMT5ALDH1A1HPGDCYP2C19
Hydrochloric Acid SCHEMBL11333159 0.98 PRMT1 (0.79) PRMT1PRMT5ALDH1A1HPGDCYP2C19
SCHEMBL11336886 0.92 PRMT1 (0.69) PRMT1PRMT5ALDH1A1HPGDCYP2C19
SCHEMBL11336885 0.92 PRMT1 (0.69) PRMT1PRMT5ALDH1A1HPGDCYP2C19
Stilbamidine SCHEMBL208655 0.91 PRMT1 (1.00) PRMT1PRMT5ALDH1A1HPGDCYP2C19
Stilbamidine SCHEMBL889782 0.91 PRMT1 (1.00) PRMT1PRMT5ALDH1A1HPGDCYP2C19
Hydrochloric Acid SCHEMBL11340508 0.90 PRMT1 (0.67) PRMT1PRMT5ALDH1A1HPGDCYP2C19
Hydrochloric Acid SCHEMBL11340504 0.90 PRMT1 (0.67) PRMT1PRMT5ALDH1A1HPGDCYP2C19
Stilbamidine SCHEMBL3932459 0.89 PRMT1 (0.95) PRMT1PRMT5ALDH1A1HPGDCYP2C19

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
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
CN-101687869-A Tetracyclic lactam derivatives as MK2 inhibitors NOVARTIS AG 2010-03-31 CN 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-4259482-A NON-SPECIFIC DEPRESSION OF CENTRAL NERVOUS SYSTEM MEAD JOHNSON & COMPANY (US) 1981-03-31 US disclosed
US-4206142-A REACTING A STYRYLSULFONYLAMIDINE WITH A BASE MEAD JOHNSON & COMPANY (US) 1980-06-03 US disclosed
US-4130663-A ANTITHROMBOGENIC, ANTIHYPERTENSIVE MEAD JOHNSON & COMPANY (US) 1978-12-19 US disclosed
US-4096183-A Styrylsulfonylamidines MEAD JOHNSON & COMPANY (US) 1978-06-20 US disclosed
US-4052455-A ANALGESICS, BLOOD PLATELET AGGREGATION INHIBITORS MEAD JOHNSON & COMPANY (US) 1977-10-04 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 (2 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-20120022030-A1 Tetracyclic Lactame Derivatives TNF, RPS6KB2, RPS6KA2 PRMT1 1937/4885PRMT5 1945/4885ALDH1A1 3295/4885
US-20090098218-A1 Tetracyclic Lactame Derivatives TNF, RPS6KB2, RPS6KA2 PRMT1 1937/4885PRMT5 1945/4885ALDH1A1 3295/4885

“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.