SCHEMBL3975569

SCHEMBL3975569

CCOC(=O)c1cc(C(C)C)n(N)c1C(=O)OCC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.42
ALDH1A1 P00352 5/20 0.41
GAA P10253 4/20 0.41
MAPT P10636 4/20 0.41
HSD17B10 Q99714 4/20 0.41
CA12 O43570 3/20 0.40
CA1 P00915 3/20 0.40
CA2 P00918 3/20 0.40
CA7 P43166 3/20 0.40
CA9 Q16790 3/20 0.40
CA14 Q9ULX7 3/20 0.40
MAPK1 P28482 1/20 0.40
HPGD P15428 3/20 0.40
KDM4E B2RXH2 3/20 0.40
KMT2A Q03164 1/20 0.39
LMNA P02545 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
MAOA P21397 1/20 0.39
ALOX15 P16050 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
SCHEMBL4573897 0.85 TSHR (0.42) TSHRALDH1A1GAAMAPTHSD17B10
SCHEMBL12851530 0.78 TSHR (0.47) TSHRALDH1A1MAPTCA12CA1
SCHEMBL12854715 0.75 TSHR (0.48) TSHRALDH1A1GAAHSD17B10CA12
SCHEMBL23732183 0.73 KDM4E (0.46) TSHRALDH1A1GAAMAPTHSD17B10
SCHEMBL1683472 0.73 NR1H2 (0.51) TSHRALDH1A1GAAMAPTHSD17B10
SCHEMBL12854934 0.70 RAB9A (0.56) TSHRALDH1A1GAAMAPTCA12
SCHEMBL26605789 0.70 CYP1A2 (0.42) TSHRALDH1A1MAPTHPGDKDM4E
SCHEMBL8940806 0.70 TSHR (0.48) TSHRALDH1A1GAAMAPTHSD17B10
SCHEMBL15908731 0.69 CA12 (0.46) TSHRALDH1A1GAAMAPTCA12
SCHEMBL14846531 0.69 ALDH1A1 (0.45) TSHRALDH1A1GAAMAPTHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1948664-B1 PYRROLOTRIAZINE KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2011-06-08 EP disclosed
US-7514435-B2 Pyrrolotriazine kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2009-04-07 US disclosed
US-7514435-B2 Pyrrolotriazine kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2009-04-07 US disclosed
EP-1948664-A2 PYRROLOTRIAZINE KINASE INHIBITORS Brystol-Myers Squibb Company (US) 2008-07-30 EP disclosed
US-20070149534-A1 PYRROLOTRIAZINE KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2007-06-28 US disclosed
US-20070149534-A1 PYRROLOTRIAZINE KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2007-06-28 US disclosed
US-20070149534-A1 PYRROLOTRIAZINE KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2007-06-28 US disclosed
WO-2007061882-A2 PYRROLOTRIAZINE KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-05-31 WO disclosed
WO-2007061882-A2 PYRROLOTRIAZINE KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-05-31 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-20070149534-A1 PYRROLOTRIAZINE KINASE INHIBITORS NTRK2, NTRK3, NTRK1 TSHR 414/4885ALDH1A1 2051/4885GAA 3654/4885

“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.