SCHEMBL3786868

SCHEMBL3786868

COc1ccccc1-c1cnc2[nH]ccc2c1N1CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 5/20 0.51
KIT P10721 2/20 0.45
JAK2 O60674 3/20 0.44
JAK3 P52333 2/20 0.44
TYK2 P29597 1/20 0.44
CKS1B P61024 2/20 0.43
SKP1 P63208 2/20 0.43
SKP2 Q13309 2/20 0.43
TP53 P04637 2/20 0.42
CCNT1 O60563 1/20 0.42
CDK9 P50750 1/20 0.42
GPR119 Q8TDV5 1/20 0.42
MERTK Q12866 1/20 0.42
SMARCA2 P51531 1/20 0.41
SMARCA4 P51532 1/20 0.41
PBRM1 Q86U86 1/20 0.41
BRD4 O60885 1/20 0.41
PTPN11 Q06124 1/20 0.41
TLR9 Q9NR96 3/20 0.40
TLR7 Q9NYK1 2/20 0.40

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
SCHEMBL3725172 0.88 JAK1 (0.51) JAK1KITJAK2JAK3TYK2
SCHEMBL3729051 0.87 JAK1 (0.56) JAK1KITJAK2JAK3TYK2
SCHEMBL3720963 0.84 JAK1 (0.55) JAK1KITJAK2JAK3TYK2
SCHEMBL3725787 0.83 JAK1 (0.51) JAK1KITJAK2JAK3TYK2
SCHEMBL3724866 0.81 JAK1 (0.52) JAK1KITJAK2JAK3TYK2
SCHEMBL3723331 0.81 JAK1 (0.51) JAK1KITJAK2JAK3TYK2
SCHEMBL3721734 0.80 JAK1 (0.52) JAK1KITJAK2JAK3TYK2
SCHEMBL3719569 0.77 JAK1 (0.49) JAK1KITJAK2JAK3TYK2
SCHEMBL27821406 0.77 HTR6 (0.47) CKS1BSKP1SKP2TP53GPR119
SCHEMBL3724798 0.76 JAK1 (0.48) JAK1KITJAK2JAK3TYK2

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-8841304-B2 Pyrrolopyridines as kinase inhibitors ARRAY BIOPHARMA, INC. (US) 2014-09-23 US disclosed
CN-101959887-B Pyrrolopyridines as kinase inhibitors ARRAY BIOPHARMA INC 2013-07-31 CN disclosed
CN-101959887-A Pyrrolopyridine as kinase inhibitor ARRAY BIOPHARMA INC 2011-01-26 CN disclosed
US-20100324041-A1 PYRROLOPYRIDINES AS KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2010-12-23 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-20100324041-A1 PYRROLOPYRIDINES AS KINASE INHIBITORS CHEK2, CHEK1, BUB1B JAK1 865/4885KIT 1158/4885JAK2 864/4885

“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.