SCHEMBL11027427

SCHEMBL11027427

CC(C)(C)OC(=O)N1CCN(c2ccc(Nc3cc(Cc4c(Cl)cccc4Cl)cnc3C(N)=O)cc2)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCND3 P30281 2/20 0.52
▸ CCNK O75909 1/20 0.52
▸ CCNA2 P20248 1/20 0.52
▸ CDK2 P24941 1/20 0.52
▸ CDK9 P50750 1/20 0.52
▸ CDK6 Q00534 1/20 0.52
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ MAPT P10636 1/20 0.47
▸ TSHR P16473 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ JAK2 O60674 3/20 0.46
▸ JAK3 P52333 3/20 0.46
▸ SYK P43405 1/20 0.46
▸ ALK Q9UM73 3/20 0.43
▸ HTT P42858 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ NAMPT P43490 1/20 0.43
▸ PTK2 Q05397 1/20 0.43
▸ JAK1 P23458 1/20 0.43

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
SCHEMBL11028993 0.88 ALK (0.57) ALKEGFRP2RX7
SCHEMBL11030740 0.86 SLC2A1 (0.55) CDK9CDK6JAK2JAK3ALK
SCHEMBL11027391 0.84 ALK (0.54) JAK2ALKEGFRP2RX7
SCHEMBL11029579 0.83 JAK2 (0.47) CCND3CCNA2CDK2CDK6JAK2
SCHEMBL11295483 0.82 ALK (0.56) ALKEGFRP2RX7
SCHEMBL11029039 0.81 JAK2 (0.52) CDK9CDK6JAK2JAK3ALK
SCHEMBL11025775 0.77 ALK (0.54) CCNA2CDK2ALKEGFRP2RX7
SCHEMBL11033990 0.77 SLC2A1 (0.54) CCND3CCNKCCNA2CDK2CDK9
SCHEMBL10127393 0.77 CCND3 (0.56) CCND3CCNKCCNA2CDK2CDK9
SCHEMBL11027579 0.76 SLC2A1 (0.49) CCND3CCNA2CDK2CDK9CDK6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8859546-B2 Picolinamide inhibitors of kinases ABBVIE INC. (US) 2014-10-14 — — US disclosed
EP-2665711-A1 PICOLINAMIDE INHIBITORS OF KINASES Abbvie Inc. (US) 2013-11-27 — — EP disclosed
US-20120190681-A1 PICOLINAMIDE INHIBITORS OF KINASES ABBOTT LABORATORIES (US) 2012-07-26 — — US disclosed
WO-2012100135-A1 PICOLINAMIDE INHIBITORS OF KINASES ABBOTT LABORATORIES (US) 2012-07-26 — — 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-20120190681-A1 PICOLINAMIDE INHIBITORS OF KINASES ALK, PKN2, ERBB2 CCND3 782/4885CCNK 387/4885CCNA2 403/4885

“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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