SCHEMBL11030064

SCHEMBL11030064

CN1CCN(c2ccc(Nc3cc(-c4ccc(C(N)=O)nc4)cnc3C(N)=O)cc2)CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHEK1 O14757 2/20 0.56
▸ HDAC3 O15379 3/20 0.51
▸ HDAC2 Q92769 2/20 0.51
▸ SLC2A1 P11166 2/20 0.50
▸ CYP1A2 P05177 1/20 0.50
▸ CYP2C18 P33260 1/20 0.50
▸ CYP2C19 P33261 1/20 0.50
▸ KCNH2 Q12809 1/20 0.50
▸ ACVRL1 P37023 1/20 0.48
▸ ACVR1 Q04771 1/20 0.48
▸ AURKA O14965 2/20 0.47
▸ CDK2 P24941 2/20 0.47
▸ CDK4 P11802 1/20 0.47
▸ CCNA2 P20248 1/20 0.47
▸ CCND3 P30281 1/20 0.47
▸ CDK6 Q00534 1/20 0.47
▸ MAPKAPK2 P49137 7/20 0.46
▸ PIM1 P11309 1/20 0.46
▸ TTK P33981 1/20 0.46
▸ PIM2 Q9P1W9 1/20 0.46

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
SCHEMBL11029599 0.88 MAPKAPK2 (0.58) CHEK1HDAC3HDAC2SLC2A1ACVRL1
SCHEMBL11030051 0.86 SLC2A1 (0.57) SLC2A1AURKACDK2CDK4CCNA2
SCHEMBL11031767 0.86 SLC2A1 (0.50) CHEK1SLC2A1ACVRL1ACVR1AURKA
SCHEMBL11029346 0.85 MAPKAPK2 (0.61) CHEK1HDAC3HDAC2SLC2A1AURKA
SCHEMBL11026741 0.85 FYN (0.55) SLC2A1AURKACDK2CDK4CCNA2
SCHEMBL11031445 0.85 SLC2A1 (0.51) CHEK1SLC2A1AURKACDK2CDK4
SCHEMBL11027433 0.84 MAPKAPK2 (0.60) HDAC3HDAC2SLC2A1AURKACDK2
SCHEMBL11029349 0.84 SLC2A1 (0.49) CHEK1SLC2A1ACVRL1ACVR1AURKA
SCHEMBL11028611 0.83 SLC2A1 (0.51) HDAC3HDAC2SLC2A1AURKACDK2
SCHEMBL11033766 0.82 SLC2A1 (0.51) SLC2A1AURKACDK2CDK4CCNA2

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 8 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 claimed
EP-2665711-A1 PICOLINAMIDE INHIBITORS OF KINASES Abbvie Inc. (US) 2013-11-27 — — EP claimed
US-20120190681-A1 PICOLINAMIDE INHIBITORS OF KINASES ABBOTT LABORATORIES (US) 2012-07-26 — — US claimed
WO-2012100135-A1 PICOLINAMIDE INHIBITORS OF KINASES ABBOTT LABORATORIES (US) 2012-07-26 — — WO claimed
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 CHEK1 683/4885HDAC3 1151/4885HDAC2 642/4885

“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