SCHEMBL5387205

SCHEMBL5387205

N#Cc1cc(-n2nc(C(F)(F)F)cc2-c2ccco2)ccc1F

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 1/20 0.44
ALDH1A1 P00352 4/20 0.42
HSD17B10 Q99714 4/20 0.42
KDM4E B2RXH2 3/20 0.42
HPGD P15428 3/20 0.42
TSHR P16473 3/20 0.42
PTGS1 P23219 3/20 0.41
PTGS2 P35354 3/20 0.41
PDPK1 O15530 1/20 0.41
MAPT P10636 2/20 0.40
MEN1 O00255 1/20 0.38
ALOX12 P18054 1/20 0.38
KMT2A Q03164 1/20 0.38
NPSR1 Q6W5P4 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
SCHEMBL18623216 0.84 ALDH1A1 (0.60) FLT3ALDH1A1HSD17B10KDM4EHPGD
SCHEMBL24467972 0.84 PDPK1 (0.56) ALDH1A1HSD17B10KDM4EHPGDTSHR
SCHEMBL5066870 0.82 PDPK1 (0.44) ALDH1A1HSD17B10KDM4EHPGDTSHR
SCHEMBL30414623 0.82 PDPK1 (0.44) ALDH1A1HSD17B10KDM4EHPGDTSHR
SCHEMBL23358701 0.81 PTGS1 (0.53) ALDH1A1HSD17B10KDM4EHPGDTSHR
SCHEMBL7230519 0.81 KDM4E (0.44) ALDH1A1HSD17B10KDM4EHPGDTSHR
SCHEMBL1997059 0.81 KDM4E (0.46) FLT3ALDH1A1HSD17B10KDM4EHPGD
SCHEMBL4564151 0.80 ERN1 (0.42) ALDH1A1HSD17B10KDM4EHPGDTSHR
SCHEMBL17064914 0.80 PTGS1 (0.64) ALDH1A1HSD17B10KDM4EHPGDTSHR
SCHEMBL2000437 0.80 FLT3 (0.42) FLT3ALDH1A1HSD17B10KDM4EHPGD

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 40 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
US-11708333-B2 Human plasma kallikrein inhibitors BIOCRYST PHARMACEUTICALS, INC. (US) 2023-07-25 US disclosed
US-11708332-B2 Human plasma kallikrein inhibitors BIOCRYST PHARMACEUTICALS, INC. (US) 2023-07-25 US disclosed
US-11685721-B2 Human plasma kallikrein inhibitors BIOCRYST PHARMACEUTICALS, INC. (US) 2023-06-27 US disclosed
US-20230056538-A1 HUMAN PLASMA KALLIKREIN INHIBITORS WILMINGTON TRUST, NATIONAL ASSOCIATION 2023-02-23 US disclosed
US-11230530-B2 Human plasma kallikrein inhibitors BIOCRYST PHARMACEUTICALS, INC. (US) 2022-01-25 US disclosed
US-11203574-B2 Human plasma kallikrein inhibitors BIOCRYST PHARMACEUTICALS, INC. (US) 2021-12-21 US disclosed
US-11192861-B2 Human plasma kallikrein inhibitors BIOCRYST PHARMACEUTICALS, INC. (US) 2021-12-07 US disclosed
US-20210078952-A1 HUMAN PLASMA KALLIKREIN INHIBITORS WILMINGTON TRUST, NATIONAL ASSOCIATION 2021-03-18 US disclosed
US-20210047276-A1 HUMAN PLASMA KALLIKREIN INHIBITORS WILMINGTON TRUST, NATIONAL ASSOCIATION 2021-02-18 US disclosed
US-20040063772-A1 Novel intermediates for guanidine mimics as factor Xa inhibitors BRISTOL-MYERS SQUIBB PHARMA COMPANY 2004-04-01 US disclosed
US-20030144287-A1 Novel N-[4- (1H-imidazol-1-yl) -2-fluorophenyl ] -3- (trifluoromethyl) -1H-pyrazole-5-carboxamides as factor Xa inhibitors BRISTOL-MYERS SQUIBB COMPANY 2003-07-31 US disclosed
WO-2003047517-A2 NOVEL-N-[4-(1H-IMIDAZOL-1-YL)-2-FLUOROPHENYL]-3-(TRIFLUOROMETHYL)-1-H-PYRAZOLE-5-CARBOXAMIDES AS FACTOR XA BRISTOL-MYERS SQUIBB COMPANY (US) 2003-06-12 WO disclosed
US-20030069258-A1 Novel guanidine mimics factor Xa inhibitors BRISTOL-MYERS SQUIBB PHARMA COMPANY 2003-04-10 US disclosed
US-20020025963-A1 Novel guanidine mimics as factor Xa inhibitors BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-02-28 US disclosed
US-6339099-B1 FOR THERAPY AND PROPHYLAXIS OF THROMBOEMBOLIC DISORDER DUPONT PHARMACEUTICALS COMPANY 2002-01-15 US disclosed
CN-1259942-A Novel guanidine mimics as factor Xa inhibitors DU PONT MERCK PHARMA (US) 2000-07-12 CN 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 (13 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-11203574-B2 Human plasma kallikrein inhibitors KLKB1, KLK5, KLK1 FLT3 1864/4885ALDH1A1 1220/4885HSD17B10 904/4885
US-20030144287-A1 Novel N-[4- (1H-imidazol-1-yl) -2-fluorophenyl ] -3- (trifluoromethyl) -1H-pyrazole-5-carboxamides as factor Xa inhibitors F11, SERPINC1, TFPI FLT3 145/4885ALDH1A1 2962/4885HSD17B10 4405/4885
US-11708332-B2 Human plasma kallikrein inhibitors KLKB1, KLK5, KLK1 FLT3 1864/4885ALDH1A1 1220/4885HSD17B10 904/4885
US-20030069258-A1 Novel guanidine mimics factor Xa inhibitors TFPI, F11, F12 FLT3 289/4885ALDH1A1 2218/4885HSD17B10 3622/4885
US-20040063772-A1 Novel intermediates for guanidine mimics as factor Xa inhibitors TFPI, SERPINC1, F11 FLT3 463/4885ALDH1A1 1666/4885HSD17B10 2603/4885
US-11192861-B2 Human plasma kallikrein inhibitors KLKB1, KLK5, KLK1 FLT3 1864/4885ALDH1A1 1220/4885HSD17B10 904/4885
US-20210047276-A1 HUMAN PLASMA KALLIKREIN INHIBITORS KLKB1, KLK5, KLK1 FLT3 1864/4885ALDH1A1 1220/4885HSD17B10 904/4885
US-20230056538-A1 HUMAN PLASMA KALLIKREIN INHIBITORS KLKB1, KLK5, KLK1 FLT3 1688/4885ALDH1A1 1136/4885HSD17B10 847/4885
US-20210078952-A1 HUMAN PLASMA KALLIKREIN INHIBITORS KLKB1, KLK1, KLK5 FLT3 2219/4885ALDH1A1 1425/4885HSD17B10 805/4885
US-11708333-B2 Human plasma kallikrein inhibitors KLKB1, KLK1, KLK5 FLT3 2219/4885ALDH1A1 1425/4885HSD17B10 805/4885
US-11230530-B2 Human plasma kallikrein inhibitors KLKB1, KLK1, KLK5 FLT3 2219/4885ALDH1A1 1425/4885HSD17B10 805/4885
US-20020025963-A1 Novel guanidine mimics as factor Xa inhibitors F11, SERPINC1, TFPI FLT3 396/4885ALDH1A1 1803/4885HSD17B10 3140/4885
US-11685721-B2 Human plasma kallikrein inhibitors KLKB1, KLK5, KLK1 FLT3 1688/4885ALDH1A1 1136/4885HSD17B10 847/4885

“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.