SCHEMBL1106447

SCHEMBL1106447

Cc1nc2ncccc2n1C(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.43
KMT2A Q03164 3/20 0.42
RAB9A P51151 2/20 0.40
NPC1 O15118 1/20 0.40
USP2 O75604 1/20 0.38
HTT P42858 1/20 0.38
NCOA1 Q15788 1/20 0.38
NCOA3 Q9Y6Q9 1/20 0.38
HTR3E A5X5Y0 1/20 0.37
HTR3B O95264 1/20 0.37
HTR3A P46098 1/20 0.37
HTR3D Q70Z44 1/20 0.37
HTR3C Q8WXA8 1/20 0.37
PDE2A O00408 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
MAPT P10636 2/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
CASP1 P29466 1/20 0.36
CASP7 P55210 1/20 0.36

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
SCHEMBL24809873 0.82 BACE1 (0.40) BACE1KMT2ARAB9ANPC1USP2
SCHEMBL12731765 0.81 ADORA3 (0.41) BACE1KMT2ARAB9ANPC1USP2
SCHEMBL12731771 0.81 KMT2A (0.42) BACE1KMT2ARAB9ANPC1USP2
SCHEMBL20088736 0.78 POLB (0.41) BACE1KMT2ARAB9ANPC1HTR3E
SCHEMBL1106454 0.77 POLB (0.40) BACE1KMT2ARAB9ANPC1HTR3E
SCHEMBL14003870 0.76 BACE1 (0.46) BACE1KMT2ARAB9ANPC1HTR3E
SCHEMBL19075158 0.76 BACE1 (0.46) BACE1KMT2ARAB9ANPC1HTR3E
SCHEMBL2750728 0.76 BACE1 (0.46) BACE1KMT2ARAB9ANPC1HTR3E
SCHEMBL1106472 0.74 POLB (0.39) BACE1KMT2ARAB9ANPC1HTR3E
SCHEMBL6492951 0.74 BACE1 (0.45) BACE1KMT2ARAB9ANPC1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8377974-B2 Factor Xa inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2013-02-19 US disclosed
US-20120178733-A1 FACTOR XA INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. 2012-07-12 US disclosed
US-8153670-B2 Factor Xa inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-04-10 US disclosed
US-8153670-B2 Factor Xa inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-04-10 US disclosed
US-20090298806-A1 FACTOR XA INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. 2009-12-03 US disclosed
US-20090298806-A1 FACTOR XA INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. 2009-12-03 US disclosed
US-7521470-B2 Factor Xa inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2009-04-21 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-20090298806-A1 FACTOR XA INHIBITORS TFPI, F12, F11 BACE1 817/4885KMT2A 3673/4885RAB9A 2543/4885
US-20120178733-A1 FACTOR XA INHIBITORS TFPI, F12, F11 BACE1 817/4885KMT2A 3673/4885RAB9A 2543/4885

“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.