SCHEMBL3702232

SCHEMBL3702232

COc1nc(N)ccc1-c1ccnc(C)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 6/20 0.50
PIM1 P11309 2/20 0.50
DYRK2 Q92630 2/20 0.50
DYRK1B Q9Y463 2/20 0.50
CDK9 P50750 1/20 0.45
MTOR P42345 3/20 0.43
ADORA2B P29275 1/20 0.40
ALOX5AP P20292 1/20 0.39
FEN1 P39748 1/20 0.39
MAP4K4 O95819 2/20 0.39
CCNC P24863 1/20 0.39
CDK8 P49336 1/20 0.39
S1PR1 P21453 1/20 0.39
S1PR3 Q99500 1/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
AURKA O14965 1/20 0.38
TTK P33981 1/20 0.38
AURKB Q96GD4 1/20 0.38

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
SCHEMBL11069334 0.77 MTOR (0.55) DYRK1AMTORADORA2BMAP4K4CCNC
SCHEMBL6844999 0.76 DYRK1A (0.51) DYRK1APIM1DYRK2DYRK1BALOX5AP
SCHEMBL12804774 0.76 DYRK1A (0.48) DYRK1APIM1DYRK2DYRK1BCCNC
SCHEMBL3708833 0.76 HSP90AA1 (0.37) DYRK1APIM1DYRK2DYRK1BCDK9
SCHEMBL16685939 0.74 PIK3C3 (0.47) DYRK1APIM1DYRK2DYRK1BADORA2B
SCHEMBL3700454 0.74 AAK1 (0.38) DYRK1APIM1DYRK2DYRK1BCDK9
SCHEMBL29637091 0.74 DYRK1A (0.49) DYRK1APIM1DYRK2DYRK1BMAP4K4
SCHEMBL1492639 0.74 DYRK1A (0.49) DYRK1APIM1DYRK2DYRK1BMAP4K4
SCHEMBL15928392 0.73 ACVR2A (0.48) DYRK1APIM1DYRK2DYRK1BCDK9
SCHEMBL7272303 0.72 DYRK1A (0.49) DYRK1APIM1DYRK2DYRK1BCDK9

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
WO-2015066697-A1 FUSED MORPHOLINOPYRIMIDINES AND METHODS OF USE THEREOF FORUM PHARMACEUTICALS INC. (US) 2015-05-07 WO disclosed
WO-2015066697-A1 FUSED MORPHOLINOPYRIMIDINES AND METHODS OF USE THEREOF FORUM PHARMACEUTICALS INC. (US) 2015-05-07 WO disclosed
WO-2012064269-A1 COMPOUNDS AND THEIR USE FOR TREATMENT OF Αβ-RELATED DISEASES ASTRAZENECA AB (SE) 2012-05-18 WO disclosed
WO-2012064269-A1 COMPOUNDS AND THEIR USE FOR TREATMENT OF Αβ-RELATED DISEASES ASTRAZENECA AB (SE) 2012-05-18 WO disclosed
US-20120122843-A1 Compounds and Their Use for Treatment of Amyloid Beta-Related Diseases ASTRAZENECA AB (SE) 2012-05-17 US disclosed
US-20120122843-A1 Compounds and Their Use for Treatment of Amyloid Beta-Related Diseases ASTRAZENECA AB (SE) 2012-05-17 US disclosed
US-20120122843-A1 Compounds and Their Use for Treatment of Amyloid Beta-Related Diseases ASTRAZENECA AB (SE) 2012-05-17 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 (1 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-20120122843-A1 Compounds and Their Use for Treatment of Amyloid Beta-Related Diseases APP, BACE1, PSEN1 DYRK1A 4505/4885PIM1 3998/4885DYRK2 4158/4885

“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.