SCHEMBL1999045

SCHEMBL1999045

N=C(N)Nc1ccc(C(N)=O)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 2/20 0.59
PRSS1 P07477 2/20 0.59
PRSS2 P07478 1/20 0.59
PRSS3 P35030 1/20 0.59
TMPRSS6 Q8IU80 1/20 0.59
ST14 Q9Y5Y6 1/20 0.59
PLG P00747 1/20 0.57
PLAU P00749 1/20 0.57
KLKB1 P03952 1/20 0.57
ALDH1A1 P00352 2/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
SMN1; SMN2 Q16637 3/20 0.51
KMT2A Q03164 2/20 0.51
KDM4E B2RXH2 2/20 0.51
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
MAPT P10636 1/20 0.51
BCAT2 O15382 1/20 0.51
MEN1 O00255 1/20 0.51
MAPK1 P28482 1/20 0.50

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 SCHEMBL11226180 0.98 F2 (0.57) F2PRSS1PRSS2PRSS3TMPRSS6
Nitric Acid SCHEMBL4070418 0.89 TSHR (0.50) F2PRSS1PRSS2PRSS3TMPRSS6
Trifluoroacetic Acid SCHEMBL30725604 0.88 KLK1 (0.51) F2PRSS1PRSS2PRSS3TMPRSS6
4-Guanidino-Benzoic Acid SCHEMBL9303333 0.88 F2 (0.61) F2PRSS1PRSS2PRSS3TMPRSS6
SCHEMBL24891830 0.85 KMT2A (0.64) F2PRSS1PRSS2PRSS3TMPRSS6
SCHEMBL7913893 0.85 F2 (0.57) F2PRSS1PRSS2PRSS3TMPRSS6
SCHEMBL7922546 0.85 F2 (0.57) F2PRSS1PRSS2PRSS3TMPRSS6
4-Guanidino-Benzoic Acid SCHEMBL211005 0.85 F2 (0.57) F2PRSS1PRSS2PRSS3TMPRSS6
SCHEMBL11316711 0.85 PARP10 (0.61) F2PRSS1PRSS2PRSS3TMPRSS6
4-Guanidino-Benzoic Acid SCHEMBL22127093 0.83 F2 (0.55) F2PRSS1PRSS2PRSS3TMPRSS6

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 64 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102731414-B Method for preparing 4-[(4-chloro-2-pyrimidinyl) amino] cyanophenyl NINGBO CHEMGOO PHARMACEUTICAL TECHNOLOGY INNOVATION LTD 2014-11-26 CN claimed
CN-102731414-A Method for preparing 4-[(4-chloro-2-pyrimidinyl) amino] cyanophenyl NINGBO CHEMGOO PHARMACEUTICAL TECHNOLOGY INNOVATION LTD 2012-10-17 CN claimed
CN-102718720-A Method for preparing 4-[(4,6-dichloro-2-pyrimidyl) amino] cyanophenyl NINGBO CHEMGOO PHARMA TECH CO LTD 2012-10-10 CN claimed
US-20060148901-A1 Acylated 4-amidino-and-4-guanidinobenzylamines for inhibition of plasma kallikrein THE MEDICINES COMPANY (LEIPZIG) GMBH (DE) 2006-07-06 US claimed
CN-1168707-C 4-guanidinobenzamides antifertility compounds 中国人民解放军第二军医大学 2004-09-29 CN claimed
US-20030232789-A1 Salicylamides as serine protease and factor xa inhibitors ALLEN DARIN ARTHUR (US) 2003-12-18 US claimed
CN-1401634-A 4-guanidinobenzamides antifertility compounds NO 2 MILITARY MEDICINE UNIV PL (CN) 2003-03-12 CN claimed
EP-1242366-A1 SALICYLAMIDES AS SERINE PROTEASE AND FACTOR XA INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2002-09-25 EP claimed
US-20020052343-A1 Salicylamides as serine protease inhibitors AXYS PHARMACEUTICALS, INC. 2002-05-02 US claimed
EP-0821689-B1 TUMOR PROTEASE ACTIVATED PRODRUGS OF PHOSPHORAMIDE MUSTARD ANALOGS DRUG INNOVATION & DESIGN INC (US) 2001-07-04 EP claimed
WO-2001044172-A1 SALICYLAMIDES AS SERINE PROTEASE AND FACTOR XA INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2001-06-21 WO claimed
EP-0821689-A1 TUMOR PROTEASE ACTIVATED PRODRUGS OF PHOSPHORAMIDE MUSTARD ANALOGS Drug Innovation & Design, Inc. (US) 1998-02-04 EP claimed
US-5659061-A Tumor protease activated prodrugs of phosphoramide mustard analogs with toxification and detoxification functionalities DRUG INNOVATION & DESIGN, INC. (US) 1997-08-19 US claimed
WO-1996033198-A1 TUMOR PROTEASE ACTIVATED PRODRUGS OF PHOSPHORAMIDE MUSTARD ANALOGS DRUG INNOVATION & DESIGN, INC. (US) 1996-10-24 WO claimed
CN-102718720-B Method for preparing 4-[(4,6-dichloro-2-pyrimidyl) amino] cyanophenyl NINGBO CHEMGOO PHARMACEUTICAL TECHNOLOGY INNOVATION LTD 2015-01-07 CN disclosed
CN-102731414-B Method for preparing 4-[(4-chloro-2-pyrimidinyl) amino] cyanophenyl NINGBO CHEMGOO PHARMACEUTICAL TECHNOLOGY INNOVATION LTD 2014-11-26 CN disclosed
CN-102731414-A Method for preparing 4-[(4-chloro-2-pyrimidinyl) amino] cyanophenyl NINGBO CHEMGOO PHARMACEUTICAL TECHNOLOGY INNOVATION LTD 2012-10-17 CN disclosed
US-5659061-A Tumor protease activated prodrugs of phosphoramide mustard analogs with toxification and detoxification functionalities DRUG INNOVATION & DESIGN, INC. (US) 1997-08-19 US disclosed
WO-1996033198-A1 TUMOR PROTEASE ACTIVATED PRODRUGS OF PHOSPHORAMIDE MUSTARD ANALOGS DRUG INNOVATION & DESIGN, INC. (US) 1996-10-24 WO disclosed
WO-1996033198-A1 TUMOR PROTEASE ACTIVATED PRODRUGS OF PHOSPHORAMIDE MUSTARD ANALOGS DRUG INNOVATION & DESIGN, INC. (US) 1996-10-24 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 (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-20060148901-A1 Acylated 4-amidino-and-4-guanidinobenzylamines for inhibition of plasma kallikrein F12, F11, F2 F2 3/4885PRSS1 128/4885PRSS2 254/4885
US-20030232789-A1 Salicylamides as serine protease and factor xa inhibitors TFPI, HABP2, PLAT F2 8/4885PRSS1 11/4885PRSS2 29/4885
US-20020052343-A1 Salicylamides as serine protease inhibitors TFPI, SERPINE1, HABP2 F2 8/4885PRSS1 7/4885PRSS2 23/4885

“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.