SCHEMBL17837208

SCHEMBL17837208

Cc1cnc(Nc2ccnc(C)c2C)nc1-c1cc2c(s1)C(C)(C)N(CCN1CCOCC1)C2=O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.58
MAPK3 P27361 1/20 0.58
MAP3K14 Q99558 3/20 0.36
CCNT1 O60563 3/20 0.36
CCNA2 P20248 3/20 0.36
CDK2 P24941 3/20 0.36
CDK9 P50750 3/20 0.36
CDK1 P06493 5/20 0.35
CCNB1 P14635 2/20 0.35
CCNB2 O95067 1/20 0.35
CCNB3 Q8WWL7 1/20 0.35
JAK2 O60674 3/20 0.35
TYK2 P29597 2/20 0.35
KDR P35968 3/20 0.35
FLT3 P36888 1/20 0.34
MKNK2 Q9HBH9 1/20 0.34
CDK7 P50613 1/20 0.34
CCNH P51946 1/20 0.34
CCNA1 P78396 1/20 0.33
ABL1 P00519 1/20 0.33

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
SCHEMBL17837281 0.88 MAPK3 (0.74) MAPK1MAPK3MAP3K14CCNT1CCNA2
SCHEMBL17837238 0.86 MAPK3 (0.54) MAPK1MAPK3MAP3K14CDK1CCNB1
SCHEMBL17837221 0.86 MAPK1 (0.76) MAPK1MAPK3CDK2
SCHEMBL17837224 0.85 MAPK3 (0.54) MAPK1MAPK3JAK2TYK2
SCHEMBL17837225 0.85 MAPK1 (0.57) MAPK1MAPK3MAP3K14CCNT1CCNA2
SCHEMBL17837234 0.83 MAPK3 (0.51) MAPK1MAPK3MAP3K14JAK2JAK1
SCHEMBL17856232 0.83 MAPK3 (0.51) MAPK1MAPK3MAP3K14CDK1CCNB1
Hydrochloric Acid SCHEMBL17837256 0.82 MAPK3 (0.50) MAPK1MAPK3MAP3K14CDK1CCNB1
SCHEMBL17837204 0.80 MAPK1 (0.53) MAPK1MAPK3CDK1KDR
SCHEMBL17837232 0.80 MAPK3 (0.48) MAPK1MAPK3JAK2TYK2JAK1

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 16 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
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-B1 THIENO[2,3-C]PYRROL-4-ONE DERIVATIVES AS ERK INHIBITORS LILLY CO ELI (US) 2019-06-05 EP disclosed
US-20160375030-A1 ERK INHIBITORS ELI LILLY AND COMPANY 2016-12-29 US 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-9526733-B1 ERK inhibitors ELI LILLY AND COMPANY (US) 2016-12-27 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
US-9469652-B2 ERK inhibitors ELI LILLY AND COMPANY (US) 2016-10-18 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
US-20160176896-A1 ERK INHIBITORS ELI LILLY AND COMPANY 2016-06-23 US 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 MAPK1 2/4885MAPK3 3/4885MAP3K14 37/4885
US-20160176896-A1 ERK INHIBITORS MAPK4, MAPK1, MAPK3 MAPK1 2/4885MAPK3 3/4885MAP3K14 37/4885

“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.