SCHEMBL17837176

SCHEMBL17837176

Cn1nccc1Nc1ncc(F)c(-c2cc3c(s2)C(C)(C)N(CCN2CCOCC2)C3=O)n1

nearest known ligand 0.75

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 18/20 0.75
MAPK3 P27361 7/20 0.75
KCNH2 Q12809 3/20 0.42
NUAK1 O60285 1/20 0.38
CCNE1 P24864 1/20 0.38
CDK2 P24941 1/20 0.38
CDK5 Q00535 1/20 0.38
CDK5R1 Q15078 1/20 0.38
CDK4 P11802 2/20 0.38
CCND1 P24385 2/20 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
SCHEMBL17837221 0.91 MAPK1 (0.76) MAPK1MAPK3KCNH2NUAK1CCNE1
SCHEMBL17837268 0.91 MAPK1 (0.73) MAPK1MAPK3KCNH2
SCHEMBL17837231 0.91 MAPK1 (0.75) MAPK1MAPK3
Temuterkib SCHEMBL17837273 0.85 MAPK1 (1.00) MAPK1MAPK3
SCHEMBL17837306 0.83 MAPK1 (0.94) MAPK1MAPK3
SCHEMBL17837173 0.82 MAPK1 (0.52) MAPK1MAPK3CDK2
Temuterkib SCHEMBL28928408 0.81 MAPK1 (0.91) MAPK1MAPK3
SCHEMBL17856234 0.81 MAPK3 (0.50) MAPK1MAPK3CDK2CDK4CCND1
SCHEMBL17837226 0.81 MAPK3 (0.49) MAPK1MAPK3CDK2CDK4CCND1
Hydrochloric Acid SCHEMBL17837235 0.81 MAPK3 (0.49) MAPK1MAPK3CDK2CDK4CCND1

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 3/4885KCNH2 4546/4885
US-20160176896-A1 ERK INHIBITORS MAPK4, MAPK1, MAPK3 MAPK1 2/4885MAPK3 3/4885KCNH2 4546/4885

“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.