SCHEMBL3960949

SCHEMBL3960949

Nc1ncnc2cc(CBr)ccc12

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PI4K2A Q9BTU6 3/20 0.48
PI4KA P42356 2/20 0.48
PI4K2B Q8TCG2 2/20 0.48
PI4KB Q9UBF8 2/20 0.48
MAP4K4 O95819 8/20 0.40
F10 P00742 6/20 0.39
EGFR P00533 1/20 0.38
ROCK1 Q13464 1/20 0.38
IP6K1 Q92551 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
SCHEMBL27591606 0.86 PI4K2A (0.46) PI4K2API4KAPI4K2BPI4KBMAP4K4
SCHEMBL3964351 0.84 ROCK1 (0.54) PI4K2API4KAPI4K2BPI4KBMAP4K4
SCHEMBL2056378 0.82 PI4KA (0.48) PI4K2API4KAPI4K2BPI4KBMAP4K4
SCHEMBL4069779 0.82 PI4KA (0.48) PI4K2API4KAPI4K2BPI4KBMAP4K4
SCHEMBL27554442 0.79 PI4K2A (0.46) PI4K2API4KAPI4K2BPI4KBMAP4K4
SCHEMBL4060831 0.79 PDE4A (0.48) EGFR
SCHEMBL20193924 0.78 PI4KA (0.44) PI4K2API4KAPI4K2BPI4KBMAP4K4
SCHEMBL27551026 0.77 PI4K2A (0.43) PI4K2API4KAPI4K2BPI4KBMAP4K4
SCHEMBL27551287 0.76 PI4KA (0.42) PI4K2API4KAPI4K2BPI4KBMAP4K4
Toluene SCHEMBL27512134 0.76 MAP4K4 (0.55) PI4K2API4KAPI4K2BPI4KBMAP4K4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1451185-B1 INDOLE-2-CARBOXAMIDES AS FACTOR XA INHIBITORS SANOFI AVENTIS DEUTSCHLAND (DE) 2014-08-06 EP disclosed
US-20090069565-A1 NEW INDOLE DERIVATIVES AS FACTOR XA INHIBITORS SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2009-03-12 US disclosed
US-6906084-B2 Indole derivatives as factor Xa inhibitors AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2005-06-14 US disclosed
US-20050043302-A1 New indole derivatives as factor Xa inhibitors AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2005-02-24 US disclosed
EP-1451185-A1 INDOLE-2-CARBOXAMIDES AS FACTOR XA INHIBITORS Aventis Pharma Deutschland GmbH (DE) 2004-09-01 EP disclosed
US-20030199689-A1 New indole derivatives as factor Xa inhibitors SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2003-10-23 US disclosed
WO-2003044014-A1 INDOLE-2-CARBOXAMIDES AS FACTOR XA INHIBITORS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2003-05-30 WO disclosed
EP-1314733-A1 Indole-2-carboxamides as factor Xa inhibitors Aventis Pharma Deutschland GmbH (DE) 2003-05-28 EP disclosed
EP-1208097-A2 SUBSTITUTED OXOAZAHETEROCYCLYL COMPOUNDS Aventis Pharmaceuticals Inc. (US) 2002-05-29 EP disclosed
WO-2001007436-A2 SUBSTITUTED OXOAZAHETEROCYCLYL COMPOUNDS AVENTIS PHARMACEUTICALS INC. (US) 2001-02-01 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 (3 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-20090069565-A1 NEW INDOLE DERIVATIVES AS FACTOR XA INHIBITORS F12, F5, F2 PI4K2A 1383/4885PI4KA 2049/4885PI4K2B 1614/4885
US-20030199689-A1 New indole derivatives as factor Xa inhibitors F5, F12, F2 PI4K2A 692/4885PI4KA 1336/4885PI4K2B 950/4885
US-20050043302-A1 New indole derivatives as factor Xa inhibitors F12, F5, F2 PI4K2A 775/4885PI4KA 1490/4885PI4K2B 1186/4885

“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.