SCHEMBL12077934

SCHEMBL12077934

CN(C1CC1)S(=O)(=O)c1ccc(-c2cnc(N)c(-c3ccc4c(c3)CCNC4=O)c2)cc1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 1/20 0.54
▸ KCNH2 Q12809 4/20 0.45
▸ MAPKAPK2 P49137 5/20 0.42
▸ PARP10 Q53GL7 3/20 0.42
▸ PARP11 Q9NR21 3/20 0.42
▸ MAP4K4 O95819 3/20 0.41
▸ MINK1 Q8N4C8 2/20 0.41
▸ PIK3CA P42336 1/20 0.41
▸ PI4KB Q9UBF8 1/20 0.41
▸ GSK3B P49841 1/20 0.40
▸ FYN P06241 1/20 0.40
▸ TNIK Q9UKE5 1/20 0.40
▸ HTR2A P28223 1/20 0.39
▸ HTR2C P28335 1/20 0.39
▸ VRK2 Q86Y07 1/20 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
SCHEMBL12496245 0.95 MAPK1 (0.48) MAPK1KCNH2MAPKAPK2MAP4K4MINK1
SCHEMBL12077231 0.92 MAPK1 (0.51) MAPK1KCNH2MAPKAPK2PARP10PARP11
SCHEMBL18112920 0.91 MAPK1 (0.51) MAPK1KCNH2MAPKAPK2PARP10PARP11
SCHEMBL18113049 0.91 MAPK1 (0.50) MAPK1MAPKAPK2PARP10PARP11GSK3B
SCHEMBL18936953 0.90 MAPK1 (0.42) MAPK1KCNH2MAPKAPK2PARP10PARP11
SCHEMBL12078235 0.90 MAPK1 (0.53) MAPK1MAPKAPK2PARP10PARP11GSK3B
SCHEMBL18113043 0.90 MAPK1 (0.49) MAPK1KCNH2MAPKAPK2PARP10PARP11
SCHEMBL12496286 0.89 MAPK1 (0.51) MAPK1MAPKAPK2PARP10PARP11GSK3B
SCHEMBL18113014 0.88 MAPK1 (0.48) MAPK1KCNH2MAPKAPK2PARP10PARP11
SCHEMBL18936979 0.88 KCNH2 (0.46) MAPK1KCNH2MAP4K4MINK1PIK3CA

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-10710978-B2 STK4 inhibitors for treatment of hematologic malignancies DANA-FARBER CANCER INSTITUTE, INC. (US) 2020-07-14 — — US disclosed
US-20180111916-A1 STK4 INHIBITORS FOR TREATMENT OF HEMATOLOGIC MALIGNANCIES FONDAZIONE CENTRO SAN RAFFAELE (IT) 2018-04-26 — — US disclosed
US-20180111916-A1 STK4 INHIBITORS FOR TREATMENT OF HEMATOLOGIC MALIGNANCIES FONDAZIONE CENTRO SAN RAFFAELE (IT) 2018-04-26 — — US disclosed
EP-2681206-B1 MST1 KINASE INHIBITORS AND METHODS OF THEIR USE LEXICON PHARMACEUTICALS INC (US) 2017-06-14 — — EP disclosed
US-20140051681-A1 MST1 KINASE INHIBITORS AND METHODS OF THEIR USE LEXICON PHARMACEUTICALS, INC. 2014-02-20 — — US disclosed
EP-2681206-A1 MST1 KINASE INHIBITORS AND METHODS OF THEIR USE Lexicon Pharmaceuticals, Inc. (US) 2014-01-08 — — EP disclosed
CN-103429582-A MST1 kinase inhibitors and method of use thereof LEXICON PHARMACEUTICALS INC 2013-12-04 — — CN disclosed
US-8440652-B2 MST1 kinase inhibitors and methods of their use LEXICON PHARMACEUTICALS, INC. (US) 2013-05-14 — — US disclosed
WO-2012121992-A1 MST1 KINASE INHIBITORS AND METHODS OF THEIR USE LEXICON PHARMACEUTICALS, INC. (US) 2012-09-13 — — WO disclosed
US-20120225857-A1 MST1 KINASE INHIBITORS AND METHODS OF THEIR USE OXFORD FINANCE LLC, AS COLLATERAL AGENT 2012-09-06 — — 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 (4 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-20140051681-A1 MST1 KINASE INHIBITORS AND METHODS OF THEIR USE MST1, STK10, STK3 MAPK1 89/4885KCNH2 4765/4885MAPKAPK2 45/4885
US-20180111916-A1 STK4 INHIBITORS FOR TREATMENT OF HEMATOLOGIC MALIGNANCIES STK4, STK3, STK11 MAPK1 341/4885KCNH2 2512/4885MAPKAPK2 90/4885
US-20120225857-A1 MST1 KINASE INHIBITORS AND METHODS OF THEIR USE MST1, STK10, STK3 MAPK1 89/4885KCNH2 4765/4885MAPKAPK2 45/4885
US-10710978-B2 STK4 inhibitors for treatment of hematologic malignancies STK4, STK3, STK11 MAPK1 341/4885KCNH2 2512/4885MAPKAPK2 90/4885

“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.

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