SCHEMBL2177570

SCHEMBL2177570

NC(=O)c1cnc(N[C@H]2CC[C@H](N)CC2)c(Cl)c1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MAPKAPK2 P49137 4/20 0.50
▸ CHEK1 O14757 3/20 0.50
▸ JAK2 O60674 2/20 0.47
▸ LCK P06239 1/20 0.47
▸ IGF1R P08069 1/20 0.47
▸ CSNK1D P48730 1/20 0.47
▸ TSSK2 Q96PF2 1/20 0.47
▸ IRAK4 Q9NWZ3 1/20 0.47
▸ KIT P10721 3/20 0.47
▸ FLT3 P36888 3/20 0.47
▸ SMYD3 Q9H7B4 1/20 0.45
▸ ROCK2 O75116 2/20 0.44
▸ ROCK1 Q13464 1/20 0.44
▸ BTK Q06187 3/20 0.43
▸ CCNT1 O60563 1/20 0.41
▸ CDK7 P50613 1/20 0.40
▸ CDK9 P50750 1/20 0.40
▸ MELK Q14680 2/20 0.40
▸ PTPN11 Q06124 1/20 0.39

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
SCHEMBL2177577 1.00 MAPKAPK2 (0.50) MAPKAPK2CHEK1JAK2LCKIGF1R
SCHEMBL13463627 0.88 KIT (0.41) MAPKAPK2CHEK1JAK2LCKIGF1R
SCHEMBL3623068 0.86 SYK (0.41) MAPKAPK2CHEK1JAK2LCKIGF1R
SCHEMBL3623064 0.86 SYK (0.41) MAPKAPK2CHEK1JAK2LCKIGF1R
SCHEMBL1937018 0.79 IRAK4 (0.40) MAPKAPK2CHEK1JAK2IRAK4KIT
SCHEMBL1937016 0.79 IRAK4 (0.40) MAPKAPK2CHEK1JAK2IRAK4KIT
SCHEMBL1938044 0.77 ROCK2 (0.52) MAPKAPK2CHEK1JAK2LCKIGF1R
SCHEMBL1938046 0.77 ROCK2 (0.52) MAPKAPK2CHEK1JAK2LCKIGF1R
SCHEMBL6154502 0.76 ROCK2 (0.51) MAPKAPK2CHEK1KITFLT3SMYD3
SCHEMBL6154499 0.76 ROCK2 (0.51) MAPKAPK2CHEK1KITFLT3SMYD3

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-20110166161-A1 HETEROCYCLIC CARBOXAMIDE COMPOUNDS ASTELLAS PHARMA INC. (JP) 2011-07-07 — — US disclosed
US-20110166161-A1 HETEROCYCLIC CARBOXAMIDE COMPOUNDS ASTELLAS PHARMA INC. (JP) 2011-07-07 — — US disclosed
US-20110166161-A1 HETEROCYCLIC CARBOXAMIDE COMPOUNDS ASTELLAS PHARMA INC. (JP) 2011-07-07 — — 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-20110166161-A1 HETEROCYCLIC CARBOXAMIDE COMPOUNDS ROCK1, ROCK2, RHOT2 MAPKAPK2 415/4885CHEK1 1873/4885JAK2 130/4885

“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