SCHEMBL1683457

SCHEMBL1683457

CCOC(=O)c1cn2nc[nH]c(=O)c2c1C(C)C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 1.00
KDR P35968 14/20 0.50
ROCK1 Q13464 1/20 0.48
EGFR P00533 1/20 0.41
ERBB2 P04626 1/20 0.41
MAP2K1 Q02750 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
RAB9A P51151 1/20 0.38
HIF1A Q16665 1/20 0.38

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
SCHEMBL1683479 0.86 NR1H2 (0.76) NR1H2KDRROCK1
SCHEMBL1730410 0.85 NR1H2 (0.73) NR1H2KDRMAP2K1MEN1KMT2A
SCHEMBL17324743 0.83 NR1H2 (0.70) NR1H2KDRROCK1KMT2AALDH1A1
SCHEMBL4046774 0.82 NR1H2 (0.70) NR1H2KDREGFRERBB2MAP2K1
SCHEMBL14110568 0.81 NR1H2 (0.69) NR1H2KDREGFRERBB2MAP2K1
SCHEMBL17321388 0.81 NR1H2 (0.67) NR1H2KDRROCK1MEN1KMT2A
SCHEMBL4048440 0.81 NR1H2 (0.67) NR1H2KDREGFRERBB2MAP2K1
SCHEMBL4225009 0.80 NR1H2 (0.67) NR1H2KDRROCK1ALDH1A1
SCHEMBL16646776 0.80 NR1H2 (0.66) NR1H2MEN1KMT2AKDM4EALDH1A1
SCHEMBL5606354 0.78 NR1H2 (0.64) NR1H2KDRROCK1ALDH1A1

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1543009-A4 PYRROLOTRIAZINE KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2007-08-08 EP claimed
US-20050234060-A1 Pyrrolotriazine kinase inhibitors BHIDE RAJEEV S 2005-10-20 US claimed
EP-1543009-A1 PYRROLOTRIAZINE KINASE INHIBITORS Bristol-Myers Squibb Company (US) 2005-06-22 EP claimed
US-20040063708-A1 Pyrrolotriazine kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2004-04-01 US claimed
WO-2004013145-A1 PYRROLOTRIAZINE KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-02-12 WO claimed
EP-1539763-B1 AZAINDOLE KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2011-04-13 EP disclosed
EP-1543009-A4 PYRROLOTRIAZINE KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2007-08-08 EP disclosed
EP-1539763-A4 AZAINDOLE KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2007-08-01 EP disclosed
US-20060058304-A1 Azaindole kinase inhibitors BHIDE RAJEEV S 2006-03-16 US disclosed
US-6969717-B2 Azaindole kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2005-11-29 US disclosed
US-20050234060-A1 Pyrrolotriazine kinase inhibitors BHIDE RAJEEV S 2005-10-20 US disclosed
US-6951859-B2 Pyrrolotriazine kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2005-10-04 US disclosed
EP-1543009-A1 PYRROLOTRIAZINE KINASE INHIBITORS Bristol-Myers Squibb Company (US) 2005-06-22 EP disclosed
EP-1539763-A1 AZAINDOLE KINASE INHIBITORS Bristol-Myers Squibb Company (US) 2005-06-15 EP disclosed
US-20040063708-A1 Pyrrolotriazine kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2004-04-01 US disclosed
US-20040063707-A1 Azaindole kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2004-04-01 US disclosed
WO-2004013145-A1 PYRROLOTRIAZINE KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-02-12 WO disclosed
WO-2004009601-A1 AZAINDOLE KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-01-29 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 (4 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-20040063707-A1 Azaindole kinase inhibitors FGFR1, FGFR2, FLT1 NR1H2 3426/4885KDR 5/4885ROCK1 208/4885
US-20060058304-A1 Azaindole kinase inhibitors FGFR1, FGFR2, FLT1 NR1H2 3417/4885KDR 5/4885ROCK1 201/4885
US-20040063708-A1 Pyrrolotriazine kinase inhibitors FGFR1, FLT1, FGFR2 NR1H2 2346/4885KDR 7/4885ROCK1 548/4885
US-20050234060-A1 Pyrrolotriazine kinase inhibitors FGFR1, FLT1, FGFR2 NR1H2 2146/4885KDR 7/4885ROCK1 546/4885

“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.