SCHEMBL3392174

SCHEMBL3392174

c1cc(-c2ccn[nH]2)ccn1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 1/20 1.00
SCN4A P35499 4/20 0.67
POLB P06746 2/20 0.61
PTPN11 Q06124 1/20 0.61
CYP2E1 P05181 1/20 0.57
CYP2A6 P11509 1/20 0.57
CYP2B6 P20813 1/20 0.57
BRAF P15056 1/20 0.56
NOTUM Q6P988 4/20 0.54
NPC1 O15118 4/20 0.52
RAB9A P51151 4/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
LTA4H P09960 2/20 0.52
MAPK1 P28482 1/20 0.52
MAPT P10636 2/20 0.50
ALDH1A1 P00352 1/20 0.50
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP19A1 P11511 1/20 0.48

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
SCHEMBL17279817 0.87 POLB (0.77) PDPK1SCN4APOLBPTPN11CYP2E1
SCHEMBL23105893 0.82 PDPK1 (0.68) PDPK1SCN4APOLBPTPN11CYP2E1
SCHEMBL3200989 0.80
SCHEMBL3026361 0.80 SCN4A (1.00) PDPK1SCN4APOLBPTPN11CYP2E1
SCHEMBL18235564 0.79 NOTUM (0.71) PDPK1SCN4APOLBPTPN11CYP2E1
SCHEMBL3068150 0.78 SCN4A (0.62) PDPK1SCN4APOLBPTPN11CYP2E1
SCHEMBL104517 0.76 SCN4A (0.79) PDPK1SCN4APOLBPTPN11CYP2E1
SCHEMBL20958709 0.76 CYP2E1 (0.64) PDPK1SCN4APOLBPTPN11CYP2E1
SCHEMBL16168729 0.76 POLB (0.63) PDPK1SCN4APOLBPTPN11CYP2E1
SCHEMBL482367 0.76 POLB (1.00) PDPK1SCN4APOLBPTPN11NOTUM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119708069-A Bivalent platinum complex, preparation method and application thereof, and organic photoelectric device 中国石油化工股份有限公司 2025-03-28 CN disclosed
US-20240131356-A1 COMBINATION OF INTRACELLULAR AND EXTRACELLULAR PHOTOSENSITIZERS FOR TREATMENT OF BACTERIAL INFECTION VANDERBILT UNIVERSITY 2024-04-25 US disclosed
WO-2014047330-A1 NOVEL RAF KINASE INHIBITORS VERNIER JEAN-MICHEL (US) 2014-03-27 WO disclosed
WO-2010046780-A2 ANTI VIRAL COMPOUNDS INSTITUT PASTEUR KOREA (KR) 2010-04-29 WO disclosed
WO-2010046780-A2 ANTI VIRAL COMPOUNDS INSTITUT PASTEUR KOREA (KR) 2010-04-29 WO disclosed
CN-1894235-A N-(4-carbamimidoyl-benzyl) -2-alkoxy-2-heterocyclyl acetamides as inhibitors of the formation of coagulation factors xa, ixa and thrombin induced by factor viia HOFFMANN LA ROCHE (CH) 2007-01-10 CN disclosed
EP-1706396-A1 N-(4-CARBAMIMIDOYL-BENZYL)-2-ALKOXY-2-HETEROCYCLYL ACETAMIDES AS INHIBITORS OF THE FORMATION OF COAGULATION FACTORS XA, IXA AND THROMBIN INDUCED BY FACTOR VIIA F.HOFFMANN-LA ROCHE AG (CH) 2006-10-04 EP disclosed
US-7056932-B2 Heterocyclyl substituted 1-alkoxy acetic acid amides HOFFMAN-LA ROCHE INC. (US) 2006-06-06 US disclosed
WO-2005058868-A1 N-(4-CARBAMIMIDOYL-BENZYL) -2-ALKOXY-2-HETEROCYCLYL ACETAMIDES AS INHIBITORS OF THE FORMATION OF COAGULATION FACTORS XA, IXA AND THROMBIN INDUCED BY FACTOR VIIA F. HOFFMANN-LA ROCHE AG (CH) 2005-06-30 WO disclosed
US-20050137168-A1 Heterocyclyl substituted 1-alkoxy acetic acid amides HOFFMANN-LA ROCHE INC. 2005-06-23 US disclosed
US-6509361-B1 Inhibit the activity of p38 MAP kinase. Also contemplated by the invention are processes for the preparation of the contemplated compounds and for the use of a contemplated compound in treating a mammalian host having a p38 kinase or PHARMACIA CORPORATION 2003-01-21 US disclosed
EP-1077971-A1 1,5-DIARYL SUBSTITUTED PYRAZOLES AS p38 KINASE INHIBITORS G.D. SEARLE & CO. (US) 2001-02-28 EP disclosed
WO-1999058523-A1 1,5-DIARYL SUBSTITUTED PYRAZOLES AS p38 KINASE INHIBITORS G.D. SEARLE & CO. (US) 1999-11-18 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 (1 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-20050137168-A1 Heterocyclyl substituted 1-alkoxy acetic acid amides F12, TFPI, F11 PDPK1 3627/4885SCN4A 2001/4885POLB 3884/4885

“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.