SCHEMBL15816611

SCHEMBL15816611

CCOc1ccc(C=C2SC(=O)N(Cc3ccccn3)C2=O)cc1

nearest known ligand 0.67

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 3/20 0.62
▸ MAOA P21397 1/20 0.62
▸ MAOB P27338 1/20 0.62
▸ ENPP2 Q13822 2/20 0.58
▸ POLB P06746 1/20 0.56
▸ HPGD P15428 2/20 0.51
▸ PTPN1 P18031 4/20 0.51
▸ PTPN2 P17706 3/20 0.51
▸ ACP1 P24666 3/20 0.51
▸ PTPRF P10586 2/20 0.51
▸ PTPRB P23467 2/20 0.51
▸ PPARG P37231 2/20 0.50
▸ AKR1B1 P15121 2/20 0.50
▸ MITF O75030 1/20 0.49
▸ MAPT P10636 1/20 0.49
▸ RAB9A P51151 1/20 0.49
▸ NCOA3 Q9Y6Q9 1/20 0.49
▸ ITGB3 P05106 1/20 0.48
▸ ITGAV P06756 1/20 0.48

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
SCHEMBL15816609 1.00 MAPK1 (0.62) MAPK1MAOAMAOBENPP2POLB
SCHEMBL15816610 1.00 MAPK1 (0.62) MAPK1MAOAMAOBENPP2POLB
SCHEMBL15816355 0.84 MAPK1 (0.62) MAPK1MAOAMAOBENPP2PTPN1
SCHEMBL15816359 0.84 MAPK1 (0.62) MAPK1MAOAMAOBENPP2PTPN1
SCHEMBL15816357 0.84 MAPK1 (0.62) MAPK1MAOAMAOBENPP2PTPN1
SCHEMBL15816573 0.84 ENPP2 (0.80) MAPK1MAOAMAOBENPP2PTPN1
SCHEMBL15816574 0.84 ENPP2 (0.80) MAPK1MAOAMAOBENPP2PTPN1
SCHEMBL15816571 0.84 ENPP2 (0.80) MAPK1MAOAMAOBENPP2PTPN1
SCHEMBL15817072 0.82 MAPK1 (0.65) MAPK1MAOAMAOBENPP2HPGD
SCHEMBL15817070 0.82 MAPK1 (0.65) MAPK1MAOAMAOBENPP2HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9115122-B2 Non-ATP dependent inhibitors of extracellular signal-regulated kinase (ERK) UNIVERSITY OF MARYLAND, BALTIMORE (US) 2015-08-25 — — US disclosed
US-20140179743-A1 NON-ATP DEPENDENT INHIBITORS OF EXTRACELLULAR SIGNAL-REGULATED KINASE (ERK) UNIVERSITY OF MARYLAND, BALTIMORE (US) 2014-06-26 — — 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 (1 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-20140179743-A1 NON-ATP DEPENDENT INHIBITORS OF EXTRACELLULAR SIGNAL-REGULATED KINASE (ERK) MAPK1, MAP3K1, MAP3K20 MAPK1 1/4885MAOA 4054/4885MAOB 3865/4885

“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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