SCHEMBL15511752

SCHEMBL15511752

Cc1cc(Nc2cc3cc(C(=O)O)ccc3cn2)ccn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC3 O15379 1/20 0.47
▸ HDAC1 Q13547 1/20 0.47
▸ HDAC2 Q92769 1/20 0.47
▸ HDAC6 Q9UBN7 1/20 0.47
▸ GSK3B P49841 2/20 0.45
▸ DYRK1A Q13627 2/20 0.45
▸ WNT1 P04628 1/20 0.45
▸ ABL1 P00519 2/20 0.45
▸ NPC1 O15118 3/20 0.44
▸ RAB9A P51151 3/20 0.44
▸ AURKA O14965 2/20 0.42
▸ HCAR3 P49019 1/20 0.42
▸ TP53 P04637 1/20 0.41
▸ SORT1 Q99523 2/20 0.41
▸ CAMK2D Q13557 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ AURKB Q96GD4 1/20 0.40
▸ GRM5 P41594 1/20 0.39
▸ SMARCA2 P51531 1/20 0.39
▸ SMARCA4 P51532 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
SCHEMBL15512057 0.88 ROCK1 (0.47) HDAC3HDAC1HDAC2HDAC6GSK3B
SCHEMBL15511275 0.79 GSK3A (0.56) HDAC3HDAC1HDAC2HDAC6GSK3B
SCHEMBL1601229 0.78 CYP2A6 (0.50) NPC1RAB9ASMN1; SMN2AKR1C3
SCHEMBL24003836 0.77 NPC1 (0.56) HDAC3HDAC1HDAC2HDAC6NPC1
SCHEMBL2671513 0.77 HCAR3 (0.60) GSK3BDYRK1AHCAR3CAMK2DAURKB
SCHEMBL15511905 0.76 MAPK1 (0.58) GSK3BDYRK1AWNT1SMN1; SMN2AKR1C3
SCHEMBL17914077 0.75 MAPK1 (0.54) GSK3BDYRK1AWNT1
SCHEMBL24010655 0.74 NPC1 (0.58) HDAC3HDAC1HDAC2HDAC6ABL1
SCHEMBL15512544 0.74 MAPK1 (0.54) GSK3BDYRK1AWNT1ABL1
SCHEMBL22672623 0.72 KDM4E (0.51) ABL1NPC1RAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2888247-B1 SERINE/THREONINE KINASE INHIBITORS FOR THE TREATMENT OF HYPERPROLIFERATIVE DISEASES ARRAY BIOPHARMA INC (US) 2020-03-25 — — EP disclosed
US-9388171-B2 Serine/threonine kinase inhibitors GENETECH, INC. (US) 2016-07-12 — — US disclosed
EP-2888247-A1 SERINE/THREONINE KINASE INHIBITORS FOR THE TREATMENT OF HYPERPROLIFERATIVE!DISEASES Array Biopharma, Inc. (US) 2015-07-01 — — EP disclosed
WO-2014036015-A1 SERINE/THREONINE KINASE INHIBITORS FOR THE TREATMENT OF HYPERPROLIFERATIVE|DISEASES ARRAY BIOPHARMA INC. (US) 2014-03-06 — — WO disclosed
US-20140066453-A1 SERINE/THREONINE KINASE INHIBITORS GENENTECH, INC. (US) 2014-03-06 — — 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 (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-20140066453-A1 SERINE/THREONINE KINASE INHIBITORS MAP3K1, MAP3K2, MAP3K20 HDAC3 2545/4885HDAC1 1151/4885HDAC2 1279/4885

“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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