SCHEMBL3725787

SCHEMBL3725787

COc1cccc(-c2cnc3[nH]ccc3c2N2CCN(C(=O)OC(C)(C)C)CC2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 7/20 0.51
KIT P10721 2/20 0.47
MAPK1 P28482 1/20 0.44
ABL1 P00519 1/20 0.43
EGFR P00533 1/20 0.43
SRC P12931 1/20 0.43
ABL2 P42684 1/20 0.43
NEK1 Q96PY6 1/20 0.43
CKS1B P61024 2/20 0.43
SKP1 P63208 2/20 0.43
SKP2 Q13309 2/20 0.43
KDM4E B2RXH2 1/20 0.43
MAPT P10636 1/20 0.43
HPGD P15428 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
JAK2 O60674 3/20 0.42
TYK2 P29597 3/20 0.42
JAK3 P52333 3/20 0.42
DGAT2 Q96PD7 1/20 0.41

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
SCHEMBL3724866 0.89 JAK1 (0.52) JAK1KITMAPK1CKS1BSKP1
SCHEMBL3721084 0.88 NEK1 (0.46) JAK1KITMAPK1NEK1KDM4E
SCHEMBL3729051 0.88 JAK1 (0.56) JAK1KITMAPK1CKS1BSKP1
SCHEMBL3720963 0.83 JAK1 (0.55) JAK1KITMAPK1CKS1BSKP1
SCHEMBL3786868 0.83 JAK1 (0.51) JAK1KITCKS1BSKP1SKP2
SCHEMBL3725172 0.82 JAK1 (0.51) JAK1KITMAPK1CKS1BSKP1
SCHEMBL3723245 0.82 AKT1 (0.44) KITMAPK1
SCHEMBL3723246 0.82 AKT1 (0.44) KITMAPK1
SCHEMBL3723942 0.81 ACVR1 (0.52) JAK1KITJAK2
SCHEMBL3722091 0.80 AKT1 (0.41) JAK1KITMAPK1MAPTNPSR1

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-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
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 (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-20140221370-A1 PYRROLOPYRIDINES AS KINASE INHIBITORS CHEK2, CHEK1, BUB1B JAK1 900/4885KIT 1127/4885MAPK1 229/4885

“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.