SCHEMBL3551699

SCHEMBL3551699

CC(=O)N1CCN(c2ccc(Nc3nccc(-c4cnc(C)n4CC4CC4)n3)cc2)CC1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK2 P24941 10/20 0.68
▸ IGF1R P08069 2/20 0.61
▸ AURKA O14965 4/20 0.58
▸ CDK7 P50613 4/20 0.58
▸ CDK9 P50750 4/20 0.58
▸ AURKB Q96GD4 4/20 0.58
▸ CDK4 P11802 3/20 0.58
▸ CDK1 P06493 3/20 0.58
▸ ALK Q9UM73 3/20 0.56
▸ WEE1 P30291 2/20 0.56
▸ FLT3 P36888 8/20 0.55
▸ CHEK1 O14757 1/20 0.55
▸ DAPK3 O43293 1/20 0.55
▸ JAK2 O60674 1/20 0.55
▸ PRKD3 O94806 1/20 0.55
▸ MAP4K4 O95819 1/20 0.55
▸ PAK4 O96013 1/20 0.55
▸ ABL1 P00519 1/20 0.55
▸ NTRK1 P04629 1/20 0.55
▸ LCK P06239 1/20 0.55

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
SCHEMBL1448559 0.83 CDK2 (0.73) CDK2CDK1SYKKCNH2
SCHEMBL3549598 0.82 CDK2 (0.83) CDK2IGF1RAURKACDK7CDK9
SCHEMBL1447567 0.82 CDK2 (0.72) CDK2CDK4CDK1JAK2BTK
SCHEMBL1447265 0.80 CDK2 (0.69) CDK2CDK1TBK1SYKKCNH2
SCHEMBL1448088 0.78 CDK2 (0.66) CDK2CDK1TBK1SYKKCNH2
SCHEMBL1448568 0.75 CDK2 (0.64) CDK2CDK1KCNH2
SCHEMBL3548656 0.75 CDK2 (1.00) CDK2CDK7CDK9CDK4CDK1
SCHEMBL4026694 0.75 CDK2 (0.64) CDK2CDK7CDK9CDK4CDK1
SCHEMBL3551129 0.74 CDK2 (0.85) CDK2CDK7CDK9CDK4CDK1
SCHEMBL4393252 0.74 JAK2 (0.75) FLT3JAK2PRKD3RETPDGFRB

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-7655652-B2 2-{4-[4-(2-hydroxyacetyl)piperazin-1-yl]anilino}-4-(1-isopropyl-2-methyl-1H-imidazol-5-yl)-5-fluoropyrimidine hydrochloride; cell cycle inhibitory; rheumatoid arthritis ASTRAZENECA AB (SE) 2010-02-02 — — US disclosed
US-20070161615-A1 Chemical compounds ASTRAZENECA AB (SE) 2007-07-12 — — 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-20070161615-A1 Chemical compounds MKI67, PCNA, CCNI CDK2 84/4885IGF1R 3080/4885AURKA 1048/4885

“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.

Send feedback