SCHEMBL1106496

SCHEMBL1106496

CC(C)n1c(CN(C)C)nc2cccnc21

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.41
PDE10A Q9Y233 1/20 0.41
POLB P06746 2/20 0.39
ALDH1A1 P00352 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
PABPC1 P11940 1/20 0.38
ENPP2 Q13822 2/20 0.35
GPR4 P46093 1/20 0.35
LMNA P02545 2/20 0.35

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
SCHEMBL1106512 0.82 TP53 (0.43) TP53PDE10APOLBALDH1A1MEN1
SCHEMBL1162865 0.80 RAB9A (0.44) TP53PDE10APOLBALDH1A1SMN1; SMN2
SCHEMBL1106472 0.77 POLB (0.39) TP53POLBALDH1A1MEN1KMT2A
SCHEMBL1106498 0.74 CSNK1E (0.47) TP53PDE10APOLBALDH1A1MEN1
SCHEMBL16939382 0.73 PDE10A (0.43) TP53PDE10APOLBALDH1A1MEN1
SCHEMBL12354239 0.73 PDE2A (0.43) TP53PDE10ASMN1; SMN2
SCHEMBL21363710 0.73 CYP1A2 (0.41) TP53PDE10A
SCHEMBL21924776 0.73 PDE10A (0.39) TP53PDE10AALDH1A1KMT2ALMNA
SCHEMBL13599973 0.71 RAB9A (0.41) TP53PDE10APOLBALDH1A1SMN1; SMN2
SCHEMBL1106479 0.71 USP2 (0.39) TP53POLBALDH1A1MEN1KMT2A

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-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-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-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 TP53 3707/4885PDE10A 600/4885POLB 3172/4885
US-20120178733-A1 FACTOR XA INHIBITORS TFPI, F12, F11 TP53 3707/4885PDE10A 600/4885POLB 3172/4885

“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.