SCHEMBL3830592

SCHEMBL3830592

Cc1nccn1-c1ccc(N)c(F)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.47
CYP3A4 P08684 2/20 0.46
CYP2E1 P05181 1/20 0.46
CYP2A6 P11509 1/20 0.46
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP19A1 P11511 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
MAOA P21397 1/20 0.43
MAOB P27338 1/20 0.43
NR3C2 P08235 1/20 0.43
ADH5 P11766 2/20 0.40
F10 P00742 2/20 0.40
HTR1A P08908 1/20 0.40
HTR2C P28335 1/20 0.40
PSEN1 P49768 1/20 0.39
PSEN2 P49810 1/20 0.39
APH1B Q8WW43 1/20 0.39
NCSTN Q92542 1/20 0.39

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
SCHEMBL7404600 0.85 ALDH1A1 (0.51) ALDH1A1CYP3A4CYP2E1CYP2A6CYP1A2
SCHEMBL6259090 0.83 ALDH1A1 (0.39) ALDH1A1KCNH2
SCHEMBL10902414 0.80 ALDH1A1 (0.44) ALDH1A1CYP3A4CYP2E1CYP2A6CYP1A2
SCHEMBL10900003 0.80 ALDH1A1 (0.50) ALDH1A1CYP3A4CYP2E1CYP2A6CYP1A2
SCHEMBL1830492 0.78 ADH5 (0.46) ALDH1A1CYP3A4CYP2E1CYP2A6CYP1A2
SCHEMBL5381277 0.78 ICMT (0.47) ALDH1A1CYP3A4CYP2E1CYP2A6CYP1A2
SCHEMBL6275691 0.78 PDE4A (0.46) ALDH1A1CYP3A4CYP2E1CYP2A6CYP1A2
SCHEMBL6182155 0.77 F10 (0.42) ALDH1A1F10F2KCNH2
SCHEMBL8694730 0.77 CYP3A4 (0.44) ALDH1A1CYP3A4CYP2E1CYP2A6CYP1A2
SCHEMBL1823867 0.77 ALDH1A1 (0.44) ALDH1A1CYP3A4CYP2E1CYP2A6CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040167131-A1 Inhibitors of factor Xa and other serine proteases involved in the coagulation cascade PFIZER INC. 2004-08-26 US claimed
CN-1582274-B Inhibitors of factor Xa and other serine proteases involved in the coagulation cascade WARNER LAMBERT CO 2011-03-09 CN disclosed
US-20090221546-A1 INHIBITORS OF FACTOR XA AND OTHER SERINE PROTEASES INVOLVED IN THE COAGULATION CASCADE PFIZER INC 2009-09-03 US disclosed
EP-2085391-A2 Inhibitors of factor XA and other serine proteases involved in the coagulation cascade Warner-Lambert Company LLC (US) 2009-08-05 EP disclosed
US-20080287674-A1 Inhibitors of Factor XA and Other Serine Proteases Involved in the Coagulation Cascade WARNER-LAMBERT COMPANY LLC 2008-11-20 US disclosed
US-7407974-B2 Inhibitors of factor Xa and other serine proteases involved in the coagulation cascade PFIZER INC. (US) 2008-08-05 US disclosed
US-7407972-B2 Inhibitors of factor Xa and other serine proteases involved in the coagulation cascade PFIZER INC. (US) 2008-08-05 US disclosed
EP-1671949-B1 Substituted Pyridinylamines WARNER LAMBERT CO (US) 2008-07-23 EP disclosed
US-7235575-B2 Guanidine mimics as factor Xa inhibitors BRISTOL MYERS SQUIBB COMPANY (US) 2007-06-26 US disclosed
US-20060264626-A1 INHIBITORS OF FACTOR Xa AND OTHER SERINE PROTEASES INVOLVED IN THE COAGULATION CASCADE WARNER-LAMBERT COMPANY LLC 2006-11-23 US disclosed
WO-2004024679-A1 INHIBITORS OF FACTOR XA AND OTHER SERINE PROTEASES INVOLVED IN THE COAGULATION CASCADE WARNER-LAMBERT COMPANY LLC (US) 2004-03-25 WO disclosed
US-20030162787-A1 Inhibitors of factor Xa and other serine proteases involved in the coagulation cascade WARNER-LAMBERT COMPANY LLC 2003-08-28 US disclosed
WO-2003045912-A1 INHIBITORS OF FACTOR XA AND OTHER SERINE PROTEASES INVOLVED IN THE COAGULATION CASCADE WARNER-LAMBERT COMPANY LLC (US) 2003-06-05 WO disclosed
EP-1307431-A2 EFFICIENT LIGAND-MEDIATED ULLMANN COUPLING OF ANILINES AND AZOLES Bristol-Myers Squibb Pharma Company (US) 2003-05-07 EP disclosed
US-20030069258-A1 Novel guanidine mimics factor Xa inhibitors BRISTOL-MYERS SQUIBB PHARMA COMPANY 2003-04-10 US disclosed
US-6541639-B2 Condensation reaction of 2-fluoro-4-iodoaniline with 2-(N,N-dimethylamino) in presence of 8-hydroxyquinoline and copper iodide BRISTOL-MYERS SQUIBB PHARMA COMPANY 2003-04-01 US disclosed
US-20020099225-A1 Efficient ligand-mediated ullmann coupling of anilnies and azoles BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-07-25 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

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-20040167131-A1 Inhibitors of factor Xa and other serine proteases involved in the coagulation cascade TFPI, SERPINC1, F11 ALDH1A1 4342/4885CYP3A4 2255/4885CYP2E1 4515/4885
US-20080287674-A1 Inhibitors of Factor XA and Other Serine Proteases Involved in the Coagulation Cascade TFPI, F11, F2 ALDH1A1 2918/4885CYP3A4 736/4885CYP2E1 1536/4885
US-20030162787-A1 Inhibitors of factor Xa and other serine proteases involved in the coagulation cascade TFPI, F11, F12 ALDH1A1 2068/4885CYP3A4 1036/4885CYP2E1 1446/4885
US-20030069258-A1 Novel guanidine mimics factor Xa inhibitors TFPI, F11, F12 ALDH1A1 2218/4885CYP3A4 1648/4885CYP2E1 2484/4885
US-20090221546-A1 INHIBITORS OF FACTOR XA AND OTHER SERINE PROTEASES INVOLVED IN THE COAGULATION CASCADE F11, F2, TFPI ALDH1A1 2421/4885CYP3A4 598/4885CYP2E1 1152/4885
US-20060264626-A1 INHIBITORS OF FACTOR Xa AND OTHER SERINE PROTEASES INVOLVED IN THE COAGULATION CASCADE F11, F2, TFPI ALDH1A1 2421/4885CYP3A4 598/4885CYP2E1 1152/4885
US-20020025963-A1 Novel guanidine mimics as factor Xa inhibitors F11, SERPINC1, TFPI ALDH1A1 1803/4885CYP3A4 1161/4885CYP2E1 1586/4885
US-20020099225-A1 Efficient ligand-mediated ullmann coupling of anilnies and azoles F12, F2, UTS2R ALDH1A1 1888/4885CYP3A4 61/4885CYP2E1 1256/4885

“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.