SCHEMBL12077714

SCHEMBL12077714

C[C@@H]1C[C@H]1N(C)S(=O)(=O)c1ccc(-c2cnc(N)c(-c3ccc4c(c3)CCNC4=O)n2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 1/20 0.43
▸ PARP10 Q53GL7 2/20 0.39
▸ PARP11 Q9NR21 2/20 0.39
▸ ATR Q13535 12/20 0.39
▸ ATM Q13315 4/20 0.39
▸ PRKDC P78527 4/20 0.39
▸ KCNH2 Q12809 2/20 0.38
▸ GSK3B P49841 3/20 0.37
▸ MAPKAPK2 P49137 1/20 0.36
▸ CCNT1 O60563 1/20 0.36
▸ CDK4 P11802 1/20 0.36
▸ CCNA2 P20248 1/20 0.36
▸ CCND1 P24385 1/20 0.36
▸ CDK2 P24941 1/20 0.36
▸ CCND3 P30281 1/20 0.36
▸ CDK7 P50613 1/20 0.36
▸ CDK9 P50750 1/20 0.36
▸ CCNH P51946 1/20 0.36
▸ MNAT1 P51948 1/20 0.36
▸ CDK6 Q00534 1/20 0.36

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
SCHEMBL18964377 0.94 MAPK1 (0.43) MAPK1PARP10PARP11ATRATM
SCHEMBL12077869 0.90 MAPK1 (0.46) MAPK1PARP10PARP11ATRATM
SCHEMBL12495170 0.89 MAPK1 (0.45) MAPK1PARP10PARP11ATRATM
SCHEMBL18936978 0.86 MAPK1 (0.44) MAPK1PARP10PARP11ATRATM
SCHEMBL12496279 0.85 MAPK1 (0.42) MAPK1PARP10PARP11ATRATM
SCHEMBL12495193 0.85 MAPK1 (0.41) MAPK1ATRATMPRKDCKCNH2
SCHEMBL18936992 0.84 MAPK1 (0.43) MAPK1PARP10PARP11ATRATM
SCHEMBL12495504 0.84 MAPK1 (0.41) MAPK1PARP10PARP11ATRATM
Hydrochloric Acid SCHEMBL12077643 0.84 MAPK1 (0.43) MAPK1PARP10PARP11ATRATM
SCHEMBL12495224 0.82 MAPK1 (0.44) MAPK1PARP10PARP11ATRKCNH2

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2681206-B1 MST1 KINASE INHIBITORS AND METHODS OF THEIR USE LEXICON PHARMACEUTICALS INC (US) 2017-06-14 — — EP 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
US-20140051681-A1 MST1 KINASE INHIBITORS AND METHODS OF THEIR USE LEXICON PHARMACEUTICALS, INC. 2014-02-20 — — US disclosed
US-20140051681-A1 MST1 KINASE INHIBITORS AND METHODS OF THEIR USE LEXICON PHARMACEUTICALS, INC. 2014-02-20 — — US disclosed
US-8440652-B2 MST1 kinase inhibitors and methods of their use LEXICON PHARMACEUTICALS, INC. (US) 2013-05-14 — — US disclosed
US-8440652-B2 MST1 kinase inhibitors and methods of their use LEXICON PHARMACEUTICALS, INC. (US) 2013-05-14 — — US 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
US-20120225857-A1 MST1 KINASE INHIBITORS AND METHODS OF THEIR USE OXFORD FINANCE LLC, AS COLLATERAL AGENT 2012-09-06 — — US 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 (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-20140051681-A1 MST1 KINASE INHIBITORS AND METHODS OF THEIR USE MST1, STK10, STK3 MAPK1 89/4885PARP10 1435/4885PARP11 1232/4885
US-20120225857-A1 MST1 KINASE INHIBITORS AND METHODS OF THEIR USE MST1, STK10, STK3 MAPK1 89/4885PARP10 1435/4885PARP11 1232/4885

“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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