SCHEMBL13336281

SCHEMBL13336281

Cn1cc(-c2cc(Nc3ncc4cc(Br)cc(F)c4n3)cc(OCCN)c2)cn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK2 P24941 8/20 0.40
▸ CCNE2 O96020 4/20 0.40
▸ CCNE1 P24864 4/20 0.40
▸ CCNB2 O95067 3/20 0.40
▸ CDK1 P06493 3/20 0.40
▸ CCNB1 P14635 3/20 0.40
▸ CDK5 Q00535 3/20 0.40
▸ CDK5R1 Q15078 3/20 0.40
▸ CCNB3 Q8WWL7 3/20 0.40
▸ CCNT1 O60563 3/20 0.40
▸ CDK9 P50750 3/20 0.40
▸ TTK P33981 10/20 0.40
▸ CCNA2 P20248 4/20 0.40
▸ JAK1 P23458 2/20 0.39
▸ TYK2 P29597 2/20 0.39
▸ JAK3 P52333 2/20 0.39
▸ JAK2 O60674 1/20 0.37
▸ MAP4K1 Q92918 2/20 0.36
▸ MAP4K3 Q8IVH8 1/20 0.36
▸ AXL P30530 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
SCHEMBL13336309 0.91 CHEK1 (0.44) CDK2CCNE2CCNE1CCNB2CDK1
SCHEMBL13336284 0.90 CDK2 (0.40) CDK2CCNE2CCNE1CCNB2CDK1
SCHEMBL13336279 0.90 AXL (0.41) CDK2CCNE2CCNE1CCNB2CDK1
SCHEMBL13336307 0.88 PDK2 (0.42) CDK2CCNE2CCNE1CCNB2CDK1
SCHEMBL13336280 0.87 CDK2 (0.39) CDK2CCNE2CCNE1CCNB2CDK1
SCHEMBL13336175 0.82 JAK1 (0.41) CDK2CCNE2CCNE1CCNB2CDK1
SCHEMBL13336161 0.82 MAP4K3 (0.42) CDK2TTKCCNA2JAK1TYK2
SCHEMBL13336122 0.81 CHEK1 (0.47) JAK1TYK2JAK3JAK2AXL
SCHEMBL13336283 0.79 FGFR1 (0.40) CDK2CCNE2CCNE1CCNB2CDK1
SCHEMBL13336128 0.79 GSK3B (0.43) CDK2CCNE2CCNE1CCNB2CDK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100121052-A1 Novel compounds for treating proliferative diseases JAIN RAMA 2010-05-13 — — US disclosed
US-20100121052-A1 Novel compounds for treating proliferative diseases JAIN RAMA 2010-05-13 — — US disclosed
WO-2009153313-A1 2 -ARYLAMINOQUINAZOLINES FOR TREATING PROLIFERATIVE DISEASES NOVARTIS AG (CH) 2009-12-23 — — WO 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-20100121052-A1 Novel compounds for treating proliferative diseases PDK1, PDK2, PDK3 CDK2 11/4885CCNE2 747/4885CCNE1 418/4885

“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.

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