SCHEMBL1106512

SCHEMBL1106512

CC(C)n1c(CN)nc2cccnc21

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.43
PDE10A Q9Y233 1/20 0.43
POLB P06746 2/20 0.40
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
PABPC1 P11940 1/20 0.39
AKT1 P31749 3/20 0.39
AKT2 P31751 1/20 0.38
ENPP2 Q13822 2/20 0.37
LMNA P02545 2/20 0.36
GPR4 P46093 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 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
ATM Q13315 1/20 0.36
TDP1 Q9NUW8 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
SCHEMBL1106496 0.82 TP53 (0.41) TP53PDE10APOLBMEN1KMT2A
SCHEMBL21363710 0.79 CYP1A2 (0.41) TP53PDE10AAKT1AKT2MAPT
SCHEMBL1163069 0.79 RAB9A (0.46) TP53PDE10APOLBMEN1KMT2A
SCHEMBL1106498 0.77 CSNK1E (0.47) TP53PDE10APOLBMEN1KMT2A
SCHEMBL16939382 0.76 PDE10A (0.43) TP53PDE10APOLBMEN1KMT2A
SCHEMBL21924776 0.76 PDE10A (0.39) TP53PDE10AKMT2AAKT1AKT2
SCHEMBL12354239 0.76 PDE2A (0.43) TP53PDE10AMAPTTSHRMAPK1
SCHEMBL1106454 0.75 POLB (0.40) TP53POLBMEN1KMT2ALMNA
SCHEMBL13599973 0.73 RAB9A (0.41) TP53PDE10APOLBMEN1KMT2A
SCHEMBL12464592 0.72 KDM4E (0.42) TP53PDE10APOLBKMT2ALMNA

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
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-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
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.