SCHEMBL1106472

SCHEMBL1106472

CC(C)n1c(CN(C)C)nc2ncccc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.39
KMT2A Q03164 4/20 0.36
MEN1 O00255 2/20 0.36
BACE1 P56817 1/20 0.35
LMNA P02545 3/20 0.33
MAPT P10636 2/20 0.33
RAB9A P51151 2/20 0.33
ALDH1A1 P00352 2/20 0.33
HPGD P15428 2/20 0.33
KDM4E B2RXH2 1/20 0.33
TP53 P04637 1/20 0.33
ALPG P10696 1/20 0.33
HSD17B10 Q99714 1/20 0.33
S1PR1 P21453 1/20 0.33
NPC1 O15118 2/20 0.33
GAA P10253 1/20 0.33
TSHR P16473 1/20 0.33
HTR3E A5X5Y0 1/20 0.33
HTR3B O95264 1/20 0.33
HTR3A P46098 1/20 0.33

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
SCHEMBL20088736 0.83 POLB (0.41) POLBKMT2AMEN1BACE1MAPT
SCHEMBL1106454 0.82 POLB (0.40) POLBKMT2AMEN1BACE1LMNA
SCHEMBL8279970 0.80 GRM2 (0.44) BACE1HTR3EHTR3BHTR3AHTR3D
SCHEMBL1106496 0.77 TP53 (0.41) POLBKMT2AMEN1LMNAALDH1A1
SCHEMBL24809873 0.74 BACE1 (0.40) POLBKMT2ABACE1LMNAMAPT
SCHEMBL1106447 0.74 BACE1 (0.43) POLBKMT2ABACE1LMNAMAPT
SCHEMBL12731771 0.73 KMT2A (0.42) POLBKMT2AMEN1BACE1LMNA
SCHEMBL12731765 0.73 ADORA3 (0.41) POLBKMT2ABACE1LMNAMAPT
SCHEMBL20715514 0.72 NPSR1 (0.45) KMT2AMEN1LMNAMAPTRAB9A
SCHEMBL20715509 0.71 SMN1; SMN2 (0.47) POLBKMT2AMEN1LMNAMAPT

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 8 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-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 POLB 3172/4885KMT2A 3673/4885MEN1 1740/4885
US-20120178733-A1 FACTOR XA INHIBITORS TFPI, F12, F11 POLB 3172/4885KMT2A 3673/4885MEN1 1740/4885

“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.