SCHEMBL1997130

SCHEMBL1997130

N#Cc1cc(-n2nc(C(F)(F)F)cc2C(=O)O)ccc1F

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 9/20 0.53
GRN P28799 1/20 0.44
SORT1 Q99523 1/20 0.44
F10 P00742 2/20 0.41
SCN9A Q15858 1/20 0.41
F2 P00734 1/20 0.41
AR P10275 3/20 0.40
KCNJ6 P48051 1/20 0.39
KCNJ5 P48544 1/20 0.39
KCNJ3 P48549 1/20 0.39
PTGS2 P35354 1/20 0.38

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
SCHEMBL4586574 0.89 KLKB1 (0.41) KLKB1F10SCN9AF2AR
SCHEMBL23428978 0.87 KLKB1 (0.52) KLKB1GRNSORT1F10F2
SCHEMBL28386908 0.86 KLKB1 (0.44) KLKB1GRNSORT1F10SCN9A
SCHEMBL7478866 0.83 ALOX5 (0.41) KLKB1F10SCN9AF2AR
SCHEMBL2000258 0.82 F10 (0.38) KLKB1F10SCN9AF2AR
SCHEMBL6338328 0.82 AR (0.44) F10AR
SCHEMBL3831413 0.82 TRPV1 (0.45) ARPTGS2
SCHEMBL24467973 0.82 KLKB1 (0.54) KLKB1GRNSORT1PTGS2
SCHEMBL1998712 0.81 SCN9A (0.46) KLKB1F10SCN9AAR
SCHEMBL7534729 0.80 F10 (0.51) KLKB1F10F2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6965036-B2 Intermediates for guanidine mimics as factor Xa inhibitors BRISTOL-MYERS SQUIBB PHARMA COMPANY 2005-11-15 US claimed
US-20040063772-A1 Novel intermediates for guanidine mimics as factor Xa inhibitors BRISTOL-MYERS SQUIBB PHARMA COMPANY 2004-04-01 US claimed
EP-4663636-A2 TRIFLUOROMETHYL SUBSTITUTED PYRAZOLES AS HUMAN PLASMA KALLIKREIN INHIBITORS BioCryst Pharmaceuticals, Inc. (US) 2025-12-17 EP disclosed
US-20250270171-A1 HUMAN PLASMA KALLIKREIN INHIBITORS WILMINGTON TRUST, NATIONAL ASSOCIATION 2025-08-28 US disclosed
US-20250257040-A1 HUMAN PLASMA KALLIKREIN INHIBITORS WILMINGTON TRUST, NATIONAL ASSOCIATION 2025-08-14 US disclosed
EP-4180424-B1 SUBSTITUTED PYRAZOLES AS HUMAN PLASMA KALLIKREIN INHIBITORS BIOCRYST PHARM INC (US) 2025-06-25 EP disclosed
US-12162838-B2 Human plasma kallikrein inhibitors BIOCRYST PHARMACEUTICALS, INC. (US) 2024-12-10 US disclosed
US-12116346-B2 Human plasma kallikrein inhibitors BIOCRYST PHARMACEUTICALS, INC. (US) 2024-10-15 US disclosed
CN-113307772-B Human plasma kallikrein inhibitors 拜奥克里斯特制药公司 2024-06-28 CN disclosed
US-20240150295-A1 HUMAN PLASMA KALLIKREIN INHIBITORS WILMINGTON TRUST, NATIONAL ASSOCIATION 2024-05-09 US disclosed
US-20240150296-A1 HUMAN PLASMA KALLIKREIN INHIBITORS WILMINGTON TRUST, NATIONAL ASSOCIATION 2024-05-09 US disclosed
US-20020025963-A1 Novel guanidine mimics as factor Xa inhibitors BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-02-28 US disclosed
WO-2002008199-A2 EFFICIENT LIGAND-MEDIATED ULLMANN COUPLING OF ANILINES AND AZOLES BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2002-01-31 WO disclosed
US-6339099-B1 FOR THERAPY AND PROPHYLAXIS OF THROMBOEMBOLIC DISORDER DUPONT PHARMACEUTICALS COMPANY 2002-01-15 US disclosed
US-6329527-B1 ACYLATING SUBSTITUTEDARYL HYDRAZINE, FORMING DIPOLAR COMPOUND, CONTACTING DIPOLAROPHILE AND SUBJECTING TO OXIDATION, REMOVING PROTECTING GROUP BRISTOL-MYERS SQUIBB PHARMA COMPANY 2001-12-11 US disclosed
EP-1140941-A1 NITROGEN CONTAINING HETEROBICYCLES AS FACTOR XA INHIBITORS Du Pont Pharmaceuticals Company (US) 2001-10-10 EP disclosed
CN-1259942-A Novel guanidine mimics as factor Xa inhibitors DU PONT MERCK PHARMA (US) 2000-07-12 CN disclosed
WO-2000039131-A1 NITROGEN CONTAINING HETEROBICYCLES AS FACTOR XA INHIBITORS DU PONT PHARMACEUTICALS COMPANY (US) 2000-07-06 WO disclosed
EP-0991638-A1 NOVEL GUANIDINE MIMICS AS FACTOR Xa INHIBITORS Du Pont Pharmaceuticals Company (US) 2000-04-12 EP disclosed
WO-1998057951-A1 NOVEL GUANIDINE MIMICS AS FACTOR Xa INHIBITORS DU PONT PHARMACEUTICALS COMPANY (US) 1998-12-23 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 (8 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-12116346-B2 Human plasma kallikrein inhibitors KLKB1, KLK5, KLK1 KLKB1 1/4885GRN 1204/4885SORT1 1845/4885
US-20250270171-A1 HUMAN PLASMA KALLIKREIN INHIBITORS KLKB1, KLK5, KLK1 KLKB1 1/4885GRN 1204/4885SORT1 1845/4885
US-20240150296-A1 HUMAN PLASMA KALLIKREIN INHIBITORS KLKB1, KLK5, KLK1 KLKB1 1/4885GRN 1204/4885SORT1 1845/4885
US-20040063772-A1 Novel intermediates for guanidine mimics as factor Xa inhibitors TFPI, SERPINC1, F11 KLKB1 535/4885GRN 75/4885SORT1 4189/4885
US-20240150295-A1 HUMAN PLASMA KALLIKREIN INHIBITORS KLKB1, KLK5, KLK1 KLKB1 1/4885GRN 1204/4885SORT1 1845/4885
US-20250257040-A1 HUMAN PLASMA KALLIKREIN INHIBITORS KLKB1, KLK5, KLK1 KLKB1 1/4885GRN 1204/4885SORT1 1845/4885
US-20020025963-A1 Novel guanidine mimics as factor Xa inhibitors F11, SERPINC1, TFPI KLKB1 398/4885GRN 113/4885SORT1 4291/4885
US-12162838-B2 Human plasma kallikrein inhibitors KLKB1, KLK5, KLK1 KLKB1 1/4885GRN 1204/4885SORT1 1845/4885

“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.