SCHEMBL12077357

SCHEMBL12077357

CC(Oc1ccc(-c2cnc(N)c(-c3ccc4c(c3)CCNC4=O)n2)cc1)C1CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 1/20 0.48
▸ SYK P43405 1/20 0.45
▸ GSK3B P49841 1/20 0.41
▸ PARP10 Q53GL7 6/20 0.40
▸ PARP11 Q9NR21 6/20 0.40
▸ MAPKAPK2 P49137 4/20 0.40
▸ CCNT1 O60563 1/20 0.40
▸ CDK4 P11802 1/20 0.40
▸ CCNA2 P20248 1/20 0.40
▸ CCND1 P24385 1/20 0.40
▸ CDK2 P24941 1/20 0.40
▸ CCND3 P30281 1/20 0.40
▸ CDK7 P50613 1/20 0.40
▸ CDK9 P50750 1/20 0.40
▸ CCNH P51946 1/20 0.40
▸ MNAT1 P51948 1/20 0.40
▸ CDK6 Q00534 1/20 0.40
▸ GABRG2 P18507 1/20 0.39
▸ GABRB3 P28472 1/20 0.39
▸ GABRA5 P31644 1/20 0.39

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
SCHEMBL12496234 0.83 MAPK1 (0.47) MAPK1GSK3BPARP10PARP11MAPKAPK2
SCHEMBL12495613 0.81 MAPK1 (0.48) MAPK1GSK3BPARP10PARP11MAPKAPK2
SCHEMBL12495496 0.80 MAPK1 (0.44) MAPK1GSK3BPARP10PARP11MAPKAPK2
SCHEMBL27946388 0.80 MAPK1 (0.49) MAPK1GSK3BPARP10PARP11MAPKAPK2
SCHEMBL27157741 0.80 MAPK1 (0.45) MAPK1GSK3BPARP10PARP11MAPKAPK2
Cyanide SCHEMBL27928724 0.80 MAPK1 (0.57) MAPK1GSK3BPARP10PARP11MAPKAPK2
SCHEMBL12496261 0.80 MAPK1 (0.42) MAPK1SYKGSK3BPARP10PARP11
SCHEMBL12495603 0.79 MAPK1 (0.48) MAPK1GSK3BPARP10PARP11MAPKAPK2
SCHEMBL18936968 0.79 MAPK1 (0.46) MAPK1SYKGSK3BPARP10PARP11
SCHEMBL12495446 0.79 MAPK1 (0.48) MAPK1GSK3BPARP10PARP11MAPKAPK2

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 14 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
EP-2681206-A1 MST1 KINASE INHIBITORS AND METHODS OF THEIR USE Lexicon Pharmaceuticals, Inc. (US) 2014-01-08 — — EP 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
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 89/4885SYK 640/4885GSK3B 284/4885
US-20120225857-A1 MST1 KINASE INHIBITORS AND METHODS OF THEIR USE MST1, STK10, STK3 MAPK1 89/4885SYK 640/4885GSK3B 284/4885

“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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