SCHEMBL1106498

SCHEMBL1106498

Cc1nc2cccnc2n1C(C)C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK1E P49674 1/20 0.47
CLK1 P49759 1/20 0.47
CLK2 P49760 1/20 0.47
CLK3 P49761 1/20 0.47
GSK3B P49841 1/20 0.47
CDK5 Q00535 1/20 0.47
DYRK1A Q13627 1/20 0.47
CDK5R1 Q15078 1/20 0.47
DYRK2 Q92630 1/20 0.47
CLK4 Q9HAZ1 1/20 0.47
DYRK4 Q9NR20 1/20 0.47
DYRK1B Q9Y463 1/20 0.47
PDE10A Q9Y233 5/20 0.43
PDE2A O00408 3/20 0.40
TP53 P04637 2/20 0.40
DAPK1 P53355 1/20 0.40
MAPT P10636 2/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
CASP1 P29466 1/20 0.39

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
SCHEMBL21363710 0.81 CYP1A2 (0.41) CSNK1ECLK1CLK2CLK3GSK3B
SCHEMBL21924776 0.81 PDE10A (0.39) PDE10APDE2ATP53MAPTTSHR
SCHEMBL16939382 0.81 PDE10A (0.43) PDE10APDE2ATP53MAPTTSHR
SCHEMBL12354239 0.81 PDE2A (0.43) PDE10APDE2ATP53MAPTTSHR
SCHEMBL13319003 0.80 ALDH1A1 (0.47) PDE10APDE2ATP53MAPTTSHR
SCHEMBL12464592 0.80 KDM4E (0.42) PDE10APDE2ATP53MAPTTSHR
SCHEMBL13599973 0.78 RAB9A (0.41) PDE10APDE2ATP53MAPTTSHR
SCHEMBL24796213 0.78 USP2 (0.42) CSNK1ECLK1CLK2CLK3GSK3B
SCHEMBL8229406 0.77 ALDH1A1 (0.50) DAPK1TSHRKMT2AALDH1A1KDM4E
SCHEMBL1106512 0.77 TP53 (0.43) PDE10ATP53MAPTTSHRMAPK1

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
EP-3873484-B1 NOVEL STING AGONISTS VENENUM BIODESIGN LLC (US) 2023-08-23 EP disclosed
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-20100144591-A1 BENZIMIDAZOLE DERIVATIVES AND METHODS OF USE THEREOF SCHERING CORPORATION 2010-06-10 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
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 (3 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 CSNK1E 1933/4885CLK1 3864/4885CLK2 3310/4885
US-20120178733-A1 FACTOR XA INHIBITORS TFPI, F12, F11 CSNK1E 1933/4885CLK1 3864/4885CLK2 3310/4885
US-20100144591-A1 BENZIMIDAZOLE DERIVATIVES AND METHODS OF USE THEREOF GPR119, GK, GCK CSNK1E 1293/4885CLK1 3281/4885CLK2 2596/4885

“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.