SCHEMBL3076464

SCHEMBL3076464

NCc1cn(-c2ccc(Br)cn2)cn1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 3/20 0.38
GRIN2D O15399 1/20 0.34
GRIN3B O60391 1/20 0.34
GRIN1 Q05586 1/20 0.34
GRIN2A Q12879 1/20 0.34
GRIN2B Q13224 1/20 0.34
GRIN2C Q14957 1/20 0.34
GRIN3A Q8TCU5 1/20 0.34
CPB2 Q96IY4 5/20 0.33
CPB1 P15086 1/20 0.33
KDM4E B2RXH2 1/20 0.32
MAPT P10636 1/20 0.32
AKR1C3 P42330 1/20 0.31
ADRA2A P08913 2/20 0.31
ADRA2B P18089 2/20 0.31
ADRA2C P18825 2/20 0.31
PLAU P00749 1/20 0.31
ALDH1A1 P00352 1/20 0.31
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30

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
SCHEMBL3100906 0.84 PDE3B (0.39) GBA1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL27381147 0.78 GRIN2D (0.38) GBA1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL2899675 0.75 GBA1 (0.37) GBA1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL31087014 0.75 CYP2E1 (0.44) GBA1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL5219198 0.74 PDE3B (0.35) GBA1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL30083563 0.73 CPB2 (0.53) CPB2CPB1ALDH1A1
SCHEMBL17443527 0.71 GRIN2D (0.41) GBA1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL2899625 0.71 KCNJ1 (0.36) GBA1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL2890582 0.71 GRIN2D (0.37) GBA1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL2899406 0.71 GRIN2D (0.34) GBA1GRIN2DGRIN3BGRIN1GRIN2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100234352-A1 FACTOR XA INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. 2010-09-16 US disclosed
US-7696352-B2 Factor Xa inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-04-13 US disclosed
EP-2114928-A2 THIOPHENE CARBOXAMIDES AS FACTOR XA INHIBITORS Millennium Pharmaceuticals, Inc. (US) 2009-11-11 EP disclosed
WO-2008086188-A2 THIOPHENE CARBOXAMIDES AS FACTOR XA INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. (US) 2008-07-17 WO disclosed
US-20070185092-A1 FACTOR Xa INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-08-09 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-20070185092-A1 FACTOR Xa INHIBITORS TFPI, F12, F11 GBA1 456/4885GRIN2D 4536/4885GRIN3B 3326/4885
US-20100234352-A1 FACTOR XA INHIBITORS TFPI, F12, F11 GBA1 456/4885GRIN2D 4536/4885GRIN3B 3326/4885

“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.