SCHEMBL3721901

SCHEMBL3721901

COC(=O)c1cnc2c(ccn2C(=O)OC(C)(C)C)c1N1CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 1/20 0.46
CKS1B P61024 2/20 0.41
SKP1 P63208 2/20 0.41
SKP2 Q13309 2/20 0.41
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
ACHE P22303 2/20 0.41
GPR119 Q8TDV5 5/20 0.40
NR1H2 P55055 1/20 0.40
KIT P10721 2/20 0.40
NR3C1 P04150 1/20 0.40
ADORA1 P30542 1/20 0.40
POLB P06746 1/20 0.40
EED O75530 1/20 0.39
RBBP4 Q09028 1/20 0.39
SUZ12 Q15022 1/20 0.39
EZH2 Q15910 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
SCHEMBL27800360 0.84 PTPN11 (0.46) PTPN11CKS1BSKP1SKP2MEN1
SCHEMBL3723331 0.82 JAK1 (0.51) PTPN11CKS1BSKP1SKP2MEN1
SCHEMBL20231785 0.74 CKS1B (0.50) PTPN11CKS1BSKP1SKP2MEN1
SCHEMBL7352143 0.73 KMT2A (0.52) PTPN11CKS1BSKP1SKP2MAPT
SCHEMBL25212289 0.72 CKS1B (0.48) PTPN11CKS1BSKP1SKP2MEN1
SCHEMBL20399911 0.71 GPR119 (0.39) GPR119
SCHEMBL30422178 0.71 PTPN11 (0.57) PTPN11CKS1BSKP1SKP2MEN1
SCHEMBL25252203 0.71 PTPN11 (0.57) PTPN11CKS1BSKP1SKP2MEN1
SCHEMBL3719569 0.71 JAK1 (0.49) PTPN11CKS1BSKP1SKP2MEN1
SCHEMBL22452839 0.70 POLB (0.59) PTPN11CKS1BSKP1SKP2MAPT

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 8 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
CN-101959887-B Pyrrolopyridines as kinase inhibitors ARRAY BIOPHARMA INC 2013-07-31 CN disclosed
EP-2242755-B1 PYRROLOPYRIDINES AS KINASE INHIBITORS ARRAY BIOPHARMA INC (US) 2012-09-12 EP 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
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 PTPN11 2621/4885CKS1B 24/4885SKP1 63/4885
US-20100324041-A1 PYRROLOPYRIDINES AS KINASE INHIBITORS CHEK2, CHEK1, BUB1B PTPN11 2473/4885CKS1B 27/4885SKP1 61/4885

“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.