SCHEMBL4870346

SCHEMBL4870346

O=C(O)C1CCN(c2ncnc3[nH]cc(Cl)c23)CC1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 10/20 0.64
MAP3K5 Q99683 3/20 0.58
MAP3K6 O95382 2/20 0.58
LIMK2 P53671 3/20 0.54
STK3 Q13188 2/20 0.52
CDC7 O00311 1/20 0.52
PLK4 O00444 1/20 0.52
CHEK1 O14757 1/20 0.52
AURKA O14965 1/20 0.52
PDPK1 O15530 1/20 0.52
JAK2 O60674 1/20 0.52
ROCK2 O75116 1/20 0.52
PAK4 O96013 1/20 0.52
CHEK2 O96017 1/20 0.52
EGFR P00533 1/20 0.52
NTRK1 P04629 1/20 0.52
PRKCG P05129 1/20 0.52
INSR P06213 1/20 0.52
LCK P06239 1/20 0.52
FYN P06241 1/20 0.52

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
SCHEMBL4869496 0.85 LIMK2 (0.72) AKT1MAP3K5MAP3K6LIMK2
SCHEMBL20640921 0.83 AKT1 (0.85) AKT1MAP3K5MAP3K6STK3CDC7
SCHEMBL18265826 0.82 LRRK2 (0.68) AKT1MAP3K5MAP3K6STK3LRRK2
SCHEMBL9966951 0.80 MAP3K5 (0.74) AKT1MAP3K5MAP3K6LIMK2STK3
SCHEMBL3536069 0.78 AKT1 (0.69) AKT1MAP3K5MAP3K6STK3CDC7
SCHEMBL2253909 0.77 AKT1 (0.68) AKT1MAP3K5MAP3K6STK3LRRK2
SCHEMBL20641460 0.77 MAP3K5 (0.59) AKT1MAP3K5MAP3K6STK3LRRK2
SCHEMBL30880363 0.76 BTK (0.64) LCK
SCHEMBL29204261 0.76 BTK (0.64) LCK
SCHEMBL24391567 0.75 AKT1 (0.58) AKT1MAP3K5MAP3K6STK3JAK2

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-7423043-B2 4-Piperidin-1-yl-7H-pyrrolo[2,3-d]pyrimidine compounds LEXICON PHARMACEUTICALS, INC. (US) 2008-09-09 US disclosed
US-20060189638-A1 kinase inhibitor; proliferative diseases such as cancer, cancer metastasis, inflammation, arthritis, and diseases characterized by abnormal or inappropriate angiogenesis OXFORD FINANCE LLC, AS COLLATERAL AGENT 2006-08-24 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-20060189638-A1 kinase inhibitor; proliferative diseases such as cancer, cancer metastasis, inflammation, arthritis, and diseases characterized by abnormal or inappropriate angiogenesis CDK4, CDK2, MKI67 AKT1 237/4885MAP3K5 21/4885MAP3K6 9/4885

“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.