SCHEMBL6163081

SCHEMBL6163081

Nc1ncnc2c(N)c[c]cc12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PI4KA P42356 5/20 0.36
PI4K2B Q8TCG2 5/20 0.36
PI4K2A Q9BTU6 5/20 0.36
PI4KB Q9UBF8 5/20 0.36
PDE5A O76074 1/20 0.36
RET P07949 3/20 0.35
LRRK2 Q5S007 2/20 0.35
XDH P47989 1/20 0.35
LIMK1 P53667 7/20 0.34
MAP4K4 O95819 6/20 0.34
CDK5 Q00535 3/20 0.34
AURKA O14965 2/20 0.34
DAPK3 O43293 2/20 0.34
PIM1 P11309 2/20 0.34
PRKACA P17612 2/20 0.34
KDR P35968 2/20 0.34
CSNK1A1 P48729 2/20 0.34
CLK2 P49760 2/20 0.34
GSK3A P49840 2/20 0.34
GSK3B P49841 2/20 0.34

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
SCHEMBL6165263 0.72 PI4KA (0.39) PI4KAPI4K2BPI4K2API4KBMAP4K4
SCHEMBL2000322 0.69 PI4KA (0.53) PI4KAPI4K2BPI4K2API4KBMAP4K4
SCHEMBL29072533 0.68 PI4KA (0.52) PI4KAPI4K2BPI4K2API4KBRET
SCHEMBL5239193 0.67 CCR1 (0.50) PIM1PIM3ALDH1A1MAPT
SCHEMBL6163883 0.67 NOS3 (0.41) MAP4K4ROCK1
SCHEMBL478773 0.65 PI4KA (0.53) PI4KAPI4K2BPI4K2API4KBRET
SCHEMBL4317878 0.62 LIMK1 (0.47) PI4KAPI4K2BPI4K2API4KBRET
SCHEMBL6161689 0.61 DYRK1A (0.31) DYRK1A
SCHEMBL6104655 0.58 ALDH1A1 (0.41) KDM4EALDH1A1MAPTHPGD
SCHEMBL31057909 0.58 LIMK1 (0.39) PI4KAPI4K2BPI4K2API4KBPDE5A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0991638-B1 NOVEL GUANIDINE MIMICS AS FACTOR Xa INHIBITORS BRISTOL MYERS SQUIBB PHARMA CO (US) 2005-08-17 EP claimed
US-6906070-B2 Anticoagulants BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2005-06-14 US claimed
EP-1175419-B1 ARYL SULFONYLS AS FACTOR XA INHIBITORS BRISTOL MYERS SQUIBB PHARMA CO (US) 2003-05-28 EP claimed
US-20030050315-A1 Aryl sulfonyls as factor Xa inhibitors WEXLER RUTH R (US) 2003-03-13 US claimed
US-20020025963-A1 Novel guanidine mimics as factor Xa inhibitors BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-02-28 US claimed
EP-1175419-A2 ARYL SULFONYLS AS FACTOR XA INHIBITORS Du Pont Pharmaceuticals Company (US) 2002-01-30 EP claimed
WO-2000059902-A2 ARYL SULFONYLS AS FACTOR XA INHIBITORS DU PONT PHARMACEUTICALS COMPANY (US) 2000-10-12 WO claimed
EP-0991638-A1 NOVEL GUANIDINE MIMICS AS FACTOR Xa INHIBITORS Du Pont Pharmaceuticals Company (US) 2000-04-12 EP claimed
WO-1998057951-A1 NOVEL GUANIDINE MIMICS AS FACTOR Xa INHIBITORS DU PONT PHARMACEUTICALS COMPANY (US) 1998-12-23 WO claimed
EP-0991638-B1 NOVEL GUANIDINE MIMICS AS FACTOR Xa INHIBITORS BRISTOL MYERS SQUIBB PHARMA CO (US) 2005-08-17 EP disclosed
US-6906070-B2 Anticoagulants BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2005-06-14 US disclosed
US-6689770-B2 AN INHIBITORS OF TRYPSIN-LIKE SERINE PROTEASE ENZYMES, AS ANTICOAGULANT AGENTS FOR TREATMENT AND PREVENTION OF THROMBOEMBOLIC DISORDERS BRISTOL-MYERS SQUIBB PHARMA COMPANY 2004-02-10 US disclosed
EP-1175419-B1 ARYL SULFONYLS AS FACTOR XA INHIBITORS BRISTOL MYERS SQUIBB PHARMA CO (US) 2003-05-28 EP disclosed
US-20030050315-A1 Aryl sulfonyls as factor Xa inhibitors WEXLER RUTH R (US) 2003-03-13 US disclosed
US-6399644-B1 ANTICOAGULANTS DUPONT PHARMACEUTICALS COMPANY 2002-06-04 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-20030050315-A1 Aryl sulfonyls as factor Xa inhibitors F12, F11, TFPI PI4KA 4139/4885PI4K2B 4180/4885PI4K2A 4393/4885
US-20020025963-A1 Novel guanidine mimics as factor Xa inhibitors F11, SERPINC1, TFPI PI4KA 3109/4885PI4K2B 3128/4885PI4K2A 3604/4885

“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.