SCHEMBL9106007

SCHEMBL9106007

COC(=O)c1cc2c(C(C)=O)c[nH]c2cc1Cl

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 10/20 0.57
CREBBP Q92793 1/20 0.48
PRKAG1 P54619 8/20 0.46
PRKAA1 Q13131 8/20 0.46
PRKAB1 Q9Y478 8/20 0.46
PRKAB2 O43741 6/20 0.46
PRKAA2 P54646 6/20 0.46
PRKAG3 Q9UGI9 6/20 0.46
PRKAG2 Q9UGJ0 6/20 0.46
PBRM1 Q86U86 1/20 0.44
HASPIN Q8TF76 1/20 0.44

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
SCHEMBL6417549 0.88 NR4A2 (0.56) NR4A2CREBBPPBRM1HASPIN
SCHEMBL10076716 0.84 NR4A2 (0.56) NR4A2CREBBPPBRM1HASPIN
SCHEMBL9101649 0.83 PRKAG1 (0.56) PRKAG1PRKAA1PRKAB1PRKAB2PRKAA2
SCHEMBL6417553 0.82 NR4A2 (0.51) NR4A2CREBBPPRKAG1PRKAA1PRKAB1
SCHEMBL27607023 0.82 NR4A2 (0.51) NR4A2CREBBPPRKAG1PRKAA1PRKAB1
SCHEMBL14350625 0.80 NR4A2 (0.51) NR4A2CREBBPPRKAG1PRKAA1PRKAB1
SCHEMBL15300951 0.79 NR4A2 (0.61) NR4A2CREBBPPRKAG1PRKAA1PRKAB1
SCHEMBL5204231 0.79 NR4A2 (0.50) NR4A2CREBBPPRKAG1PRKAA1PRKAB1
SCHEMBL5204235 0.79 NR4A2 (0.50) NR4A2CREBBPPRKAG1PRKAA1PRKAB1
SCHEMBL2493105 0.75 NPC1 (0.64) NR4A2CREBBPPBRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8507499-B2 Substituted indole/indazole-pyrimidinyl compounds CONFLUENCE LIFE SCIENCES, INC. (US) 2013-08-13 US disclosed
WO-2012078674-A1 SUBSTITUTED INDOLE/INDAZOLE-PYRIMIDINYL COMPOUNDS CONFLUENCE LIFE SCIENCES, INC. (US) 2012-06-14 WO disclosed
US-20120142696-A1 SUBSTITUTED INDOLE/INDAZOLE-PYRIMIDINYL COMPOUNDS ACLARIS THERAPEUTICS, INC. 2012-06-07 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-20120142696-A1 SUBSTITUTED INDOLE/INDAZOLE-PYRIMIDINYL COMPOUNDS MAPK1, MAP3K1, MAP3K20 NR4A2 2670/4885CREBBP 634/4885PRKAG1 606/4885

“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.