SCHEMBL3724798

SCHEMBL3724798

CC(=O)NNC(=O)c1cnc2[nH]ccc2c1N1CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 6/20 0.48
JAK3 P52333 6/20 0.45
JAK2 O60674 5/20 0.45
TYK2 P29597 3/20 0.45
ALDH1A1 P00352 1/20 0.44
PTPN11 Q06124 1/20 0.44
KIT P10721 2/20 0.42
MEN1 O00255 1/20 0.41
MAPT P10636 1/20 0.41
TSHR P16473 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
GPR119 Q8TDV5 1/20 0.41
POLB P06746 1/20 0.40
CKS1B P61024 1/20 0.40
SKP1 P63208 1/20 0.40
SKP2 Q13309 1/20 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
SCHEMBL3719569 0.88 JAK1 (0.49) JAK1JAK3JAK2TYK2ALDH1A1
SCHEMBL3723331 0.86 JAK1 (0.51) JAK1JAK3JAK2TYK2ALDH1A1
SCHEMBL3805745 0.86 ALDH1A1 (0.48) JAK1JAK3JAK2TYK2ALDH1A1
SCHEMBL3721734 0.82 JAK1 (0.52) JAK1JAK3JAK2TYK2PTPN11
SCHEMBL3729051 0.78 JAK1 (0.56) JAK1JAK3JAK2TYK2PTPN11
SCHEMBL3720963 0.78 JAK1 (0.55) JAK1JAK3JAK2TYK2KIT
SCHEMBL3725172 0.76 JAK1 (0.51) JAK1JAK3JAK2TYK2PTPN11
SCHEMBL3786868 0.76 JAK1 (0.51) JAK1JAK3JAK2TYK2PTPN11
SCHEMBL4934159 0.75 JAK1 (0.53) JAK1JAK3JAK2TYK2KIT
SCHEMBL3724866 0.75 JAK1 (0.52) JAK1JAK3JAK2TYK2KIT

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 6 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
US-20140221370-A1 PYRROLOPYRIDINES AS KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2014-08-07 US disclosed
EP-2242755-B1 PYRROLOPYRIDINES AS KINASE INHIBITORS ARRAY BIOPHARMA INC (US) 2012-09-12 EP disclosed
US-20100324041-A1 PYRROLOPYRIDINES AS KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2010-12-23 US disclosed
EP-2242755-A1 PYRROLOPYRIDINES AS KINASE INHIBITORS Array Biopharma, Inc. (US) 2010-10-27 EP disclosed
WO-2009089352-A1 PYRROLOPYRIDINES AS KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2009-07-16 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 (2 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-20140221370-A1 PYRROLOPYRIDINES AS KINASE INHIBITORS CHEK2, CHEK1, BUB1B JAK1 900/4885JAK3 1382/4885JAK2 912/4885
US-20100324041-A1 PYRROLOPYRIDINES AS KINASE INHIBITORS CHEK2, CHEK1, BUB1B JAK1 865/4885JAK3 1316/4885JAK2 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.