SCHEMBL478773

SCHEMBL478773

Nc1ncnc2c[c]ccc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PI4KA P42356 2/20 0.53
PI4K2B Q8TCG2 2/20 0.53
PI4K2A Q9BTU6 2/20 0.53
PI4KB Q9UBF8 2/20 0.53
MAP4K4 O95819 17/20 0.40
CHEK1 O14757 1/20 0.37
AURKA O14965 1/20 0.37
DAPK3 O43293 1/20 0.37
JAK2 O60674 1/20 0.37
ABL1 P00519 1/20 0.37
NTRK1 P04629 1/20 0.37
LCK P06239 1/20 0.37
FYN P06241 1/20 0.37
CSF1R P07333 1/20 0.37
RET P07949 1/20 0.37
IGF1R P08069 1/20 0.37
MET P08581 1/20 0.37
PDGFRB P09619 1/20 0.37
PIM1 P11309 1/20 0.37
FGFR1 P11362 1/20 0.37

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
SCHEMBL2000322 0.84 PI4KA (0.53) PI4KAPI4K2BPI4K2API4KBMAP4K4
SCHEMBL394560 0.72 DCPS (0.53) MAP4K4
SCHEMBL695233 0.71 ADORA2A (0.62) MAP4K4JAK2
4-Aminoquinazoline SCHEMBL29363315 0.70 PI4KA (1.00) PI4KAPI4K2BPI4K2API4KBMAP4K4
4-Aminoquinazoline SCHEMBL142513 0.70 PI4KA (1.00) PI4KAPI4K2BPI4K2API4KBMAP4K4
4-Aminoquinazoline SCHEMBL31377585 0.70 PI4KA (1.00) PI4KAPI4K2BPI4K2API4KBMAP4K4
SCHEMBL6091929 0.68 ADORA2A (0.38) PI4KAPI4K2BPI4K2API4KB
4-Aminoquinazoline SCHEMBL4171913 0.68 PI4KA (0.95) PI4KAPI4K2BPI4K2API4KBMAP4K4
4-Aminoquinazoline SCHEMBL2521546 0.68 PI4KA (0.95) PI4KAPI4K2BPI4K2API4KBMAP4K4
4-Aminoquinazoline SCHEMBL29723576 0.68 PI4KA (0.95) PI4KAPI4K2BPI4K2API4KBMAP4K4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8466295-B2 Thiophene derivatives as factor XIa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-06-18 US claimed
US-8163749-B2 Six-membered heterocycles useful as serine protease inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-04-24 US claimed
US-20090253766-A1 THIOPHENE DERIVATIVES AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2009-10-08 US claimed
US-20090181983-A1 SIX-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS BRISTOL -MEYERS SQUIBB COMPANY 2009-07-16 US claimed
EP-1966141-A1 SIX-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS Brystol-Myers Squibb Company (US) 2008-09-10 EP claimed
WO-2007070818-A1 SIX-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-06-21 WO claimed
WO-2007070816-A2 THIOPHENE DERIVATIVES AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-06-21 WO claimed
US-6960595-B2 5-6 to 5-7 Heterobicycles as factor Xa inhibitors BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2005-11-01 US claimed
WO-2000032590-A1 SUBSTITUTED OXOAZAHETEROCYCLYL FACTOR Xa INHIBITORS AVENTIS PHARMACEUTICALS PRODUCTS INC. (US) 2000-06-08 WO claimed
US-20200140436-A1 LACTAM-CONTAINING COMPOUNDS AND DERIVATIVES THEREOF AS FACTOR XA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2020-05-07 US disclosed
CN-110894196-A Lactam-containing compounds and derivatives thereof as factor Xa inhibitors 百时美-施贵宝控股爱尔兰无限公司 2020-03-20 CN disclosed
US-20180244673-A1 LACTAM-CONTAINING COMPOUNDS AND DERIVATIVES THEREOF AS FACTOR XA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2018-08-30 US disclosed
US-9975891-B2 Lactam-containing compounds and derivatives thereof as factor Xa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2018-05-22 US disclosed
US-20170050964-A1 LACTAM-CONTAINING COMPOUNDS AND DERIVATIVES THEREOF AS FACTOR XA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2017-02-23 US disclosed
WO-2002094197-A2 BICYCLIC INHIBITORS OF FACTOR XA BRISTOL-MYERS SQUIBB COMPANY (US) 2002-11-28 WO disclosed
US-6413980-B1 INHIBITORS OF TRYPSIN-LIKE SERINE PROTEASE ENZYMES; ANTICOAGULANTS; THROMBOEMBOLIC DISORDERS BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-07-02 US disclosed
WO-2002028847-A1 NEW THIADIAZOLES AND OXADIAZOLES AND THEIR USE AS PHOSPHODIESTERASE-7 INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2002-04-11 WO disclosed
EP-1140941-A1 NITROGEN CONTAINING HETEROBICYCLES AS FACTOR XA INHIBITORS Du Pont Pharmaceuticals Company (US) 2001-10-10 EP disclosed
WO-2000039131-A1 NITROGEN CONTAINING HETEROBICYCLES AS FACTOR XA INHIBITORS DU PONT PHARMACEUTICALS COMPANY (US) 2000-07-06 WO disclosed
WO-2000032590-A1 SUBSTITUTED OXOAZAHETEROCYCLYL FACTOR Xa INHIBITORS AVENTIS PHARMACEUTICALS PRODUCTS INC. (US) 2000-06-08 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 (5 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-20180244673-A1 LACTAM-CONTAINING COMPOUNDS AND DERIVATIVES THEREOF AS FACTOR XA INHIBITORS F12, F2, CPB1 PI4KA 1059/4885PI4K2B 1367/4885PI4K2A 1893/4885
US-20170050964-A1 LACTAM-CONTAINING COMPOUNDS AND DERIVATIVES THEREOF AS FACTOR XA INHIBITORS F12, F2, CPB1 PI4KA 1059/4885PI4K2B 1367/4885PI4K2A 1893/4885
US-20090253766-A1 THIOPHENE DERIVATIVES AS FACTOR XIA INHIBITORS TFPI, F12, F11 PI4KA 1814/4885PI4K2B 2748/4885PI4K2A 2047/4885
US-20200140436-A1 LACTAM-CONTAINING COMPOUNDS AND DERIVATIVES THEREOF AS FACTOR XA INHIBITORS F12, F2, CPB1 PI4KA 1100/4885PI4K2B 1397/4885PI4K2A 1936/4885
US-20090181983-A1 SIX-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS TFPI, F11, F12 PI4KA 1994/4885PI4K2B 2564/4885PI4K2A 2087/4885

“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.