SCHEMBL3592469

SCHEMBL3592469

N#Cc1ccc(Nc2ncc3cnn(C4Cc5cccc6cccc4c56)c3n2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 2/20 0.40
MAOB P27338 1/20 0.40
SYK P43405 1/20 0.39
MAP4K1 Q92918 1/20 0.37
CDK4 P11802 2/20 0.37
CDK2 P24941 1/20 0.37
GSK3B P49841 1/20 0.37
DYRK1A Q13627 1/20 0.37
WEE1 P30291 1/20 0.37
AURKA O14965 5/20 0.36
CDK1 P06493 4/20 0.36
CCNB1 P14635 4/20 0.36
OPRM1 P35372 1/20 0.36
OPRK1 P41145 1/20 0.36
OPRL1 P41146 1/20 0.36
MAPK9 P45984 1/20 0.35
MAPK10 P53779 1/20 0.35
JAK2 O60674 1/20 0.35
JAK3 P52333 1/20 0.35
PTK2 Q05397 1/20 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
SCHEMBL3590707 0.87 ABL1 (0.39) SYKCDK4AURKACDK1CCNB1
SCHEMBL3580556 0.87 ABL1 (0.39) SYKCDK4AURKACDK1CCNB1
SCHEMBL3592265 0.87 ABL1 (0.39) SYKCDK4AURKACDK1CCNB1
SCHEMBL3588605 0.84 GSK3B (0.43) GSK3BAURKAJAK2
SCHEMBL3588602 0.84 GSK3B (0.43) GSK3BAURKAJAK2
SCHEMBL3589173 0.84 GSK3B (0.43) GSK3BAURKAJAK2
SCHEMBL3579776 0.83 CDK4 (0.47) CDK4CDK2CDK1CCNB1JAK2
SCHEMBL3580392 0.83 CDK4 (0.47) CDK4CDK2CDK1CCNB1JAK2
SCHEMBL3582554 0.83 CDK4 (0.47) CDK4CDK2CDK1CCNB1JAK2
SCHEMBL1355871 0.82 SYK (0.43) GRM5MAOBSYKMAP4K1CDK4

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100190787-A1 Modulators of Mitotic Kinases BIOGEN IDEC MA INC 2010-07-29 US claimed
US-20100190787-A1 Modulators of Mitotic Kinases BIOGEN IDEC MA INC 2010-07-29 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-20100190787-A1 Modulators of Mitotic Kinases CDK1, BUB1, BUB1B GRM5 3483/4885MAOB 2273/4885SYK 1222/4885

“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.