SCHEMBL17856233

SCHEMBL17856233

CC1(C)c2sc(-c3ccnc(Nc4c[nH]nc4C4CC4)n3)cc2C(=O)N1CCN1CCOCC1

nearest known ligand 0.68

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.68
MAPK3 P27361 1/20 0.68
CCNB2 O95067 3/20 0.43
CDK1 P06493 3/20 0.43
CCNB1 P14635 3/20 0.43
CCNB3 Q8WWL7 3/20 0.43
MKNK2 Q9HBH9 2/20 0.39
FLT3 P36888 1/20 0.39
ABL1 P00519 1/20 0.38
BCR P11274 1/20 0.38
EIF2AK2 P19525 1/20 0.37
IGF1R P08069 2/20 0.36
MAP3K14 Q99558 5/20 0.36
RET P07949 1/20 0.35
KIT P10721 1/20 0.35

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
SCHEMBL17856230 0.90 MAPK3 (0.71) MAPK1MAPK3CCNB2CDK1CCNB1
SCHEMBL17856231 0.88 MAPK3 (0.72) MAPK1MAPK3CCNB2CDK1CCNB1
SCHEMBL17837277 0.88 MAPK3 (0.69) MAPK1MAPK3CCNB2CDK1CCNB1
SCHEMBL17856229 0.87 MAPK3 (0.68) MAPK1MAPK3CCNB2CDK1CCNB1
Hydrochloric Acid SCHEMBL17837190 0.85 MAPK1 (0.67) MAPK1MAPK3CCNB2CDK1CCNB1
SCHEMBL17837281 0.83 MAPK3 (0.74) MAPK1MAPK3CCNB2CDK1CCNB1
SCHEMBL17837311 0.82 MAPK3 (0.71) MAPK1MAPK3CCNB2CDK1CCNB1
SCHEMBL21965940 0.82 MAPK1 (0.78) MAPK1MAPK3CCNB2CDK1CCNB1
SCHEMBL17837280 0.82 MAPK3 (0.68) MAPK1MAPK3CCNB2CDK1CCNB1
SCHEMBL17837210 0.82 MAPK3 (0.66) MAPK1MAPK3CCNB2CDK1CCNB1

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 10 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
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-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

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 3/4885CCNB2 977/4885
US-20160176896-A1 ERK INHIBITORS MAPK4, MAPK1, MAPK3 MAPK1 2/4885MAPK3 3/4885CCNB2 977/4885

“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.