SCHEMBL17837245

SCHEMBL17837245

COc1nn(C(=O)O)cc1N

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
KMT2A Q03164 3/20 0.34
F2 P00734 1/20 0.34
MAPK8 P45983 1/20 0.32
MAPK9 P45984 1/20 0.32
MAPT P10636 2/20 0.32
CASP1 P29466 1/20 0.32
ALDH1A1 P00352 4/20 0.31
GAA P10253 2/20 0.31
KDM4E B2RXH2 3/20 0.31
LMNA P02545 1/20 0.31
HTT P42858 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
HPGD P15428 1/20 0.30
MEN1 O00255 1/20 0.30
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
ALOX15 P16050 1/20 0.30

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
SCHEMBL17837216 0.78 ROCK2 (0.34) F2MAPTALDH1A1KDM4EHTT
SCHEMBL15512886 0.76 GAA (0.35) TDP1KMT2AMAPTCASP1ALDH1A1
SCHEMBL17837151 0.74 CYP2C9 (0.42) POLBTDP1KMT2AMAPTALDH1A1
SCHEMBL2383936 0.72 KDM4E (0.33) KDM4E
SCHEMBL23852413 0.71 PPARA (0.42)
SCHEMBL31322925 0.69 ADORA2A (0.30)
SCHEMBL2182645 0.69
SCHEMBL15651724 0.68 ADORA2A (0.42) MAPTCASP1
Hydrochloric Acid SCHEMBL18662690 0.67 ADORA2A (0.36) TDP1KMT2AMAPTCASP1ALDH1A1
Hydrochloric Acid SCHEMBL16714643 0.67 ADORA2A (0.36) TDP1KMT2AMAPTCASP1ALDH1A1

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-RE48635-E1 ERK inhibitors ELI LILLY AND COMPANY (US) 2021-07-13 US disclosed
EP-3237423-B1 THIENO[2,3-C]PYRROL-4-ONE DERIVATIVES AS ERK INHIBITORS LILLY CO ELI (US) 2019-06-05 EP disclosed
EP-3237423-A1 THIENO[2,3-C]PYRROL-4-ONE DERIVATIVES AS ERK INHIBITORS Eli Lilly and Company (US) 2017-11-01 EP disclosed
US-20160375030-A1 ERK INHIBITORS ELI LILLY AND COMPANY 2016-12-29 US disclosed
US-9526733-B1 ERK inhibitors ELI LILLY AND COMPANY (US) 2016-12-27 US disclosed
US-9469652-B2 ERK inhibitors ELI LILLY AND COMPANY (US) 2016-10-18 US disclosed
WO-2016106029-A1 THIENO[2,3-C]PYRROL-4-ONE DERIVATIVES AS ERK INHIBITORS ELI LILLY AND COMPANY (US) 2016-06-30 WO disclosed
US-20160176896-A1 ERK INHIBITORS ELI LILLY AND COMPANY 2016-06-23 US 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-20160375030-A1 ERK INHIBITORS MAPK4, MAPK1, MAPK3 POLB 2293/4885TDP1 2495/4885KMT2A 3179/4885
US-20160176896-A1 ERK INHIBITORS MAPK4, MAPK1, MAPK3 POLB 2293/4885TDP1 2495/4885KMT2A 3179/4885

“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.