SCHEMBL529894

SCHEMBL529894

Oc1ccc(-c2ccc3nccc(-c4ccc(O)cc4)c3c2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 5/20 0.64
MAPKAPK2 P49137 3/20 0.54
AKT1 P31749 2/20 0.48
MAPK10 P53779 1/20 0.48
TLR8 Q9NR97 1/20 0.48
RAF1 P04049 3/20 0.47
BRAF P15056 3/20 0.47
ACVR1 Q04771 1/20 0.46
CAMKK1 Q8N5S9 1/20 0.45
CAMKK2 Q96RR4 1/20 0.45
CLK1 P49759 1/20 0.44
DYRK1A Q13627 1/20 0.44
DYRK2 Q92630 1/20 0.44
DYRK1B Q9Y463 1/20 0.44
CCNB2 O95067 1/20 0.44
CDK1 P06493 1/20 0.44
CCNB1 P14635 1/20 0.44
GSK3A P49840 1/20 0.44
GSK3B P49841 1/20 0.44
CDK5 Q00535 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
SCHEMBL28140817 0.85 ALK (0.49) PIK3CAMAPKAPK2TLR8CCNB2CDK1
SCHEMBL730188 0.84 PIK3CA (0.87) PIK3CAAKT1MAPK10ACVR1CLK1
SCHEMBL9709110 0.84 PIK3CA (0.87) PIK3CAMAPKAPK2AKT1MAPK10ACVR1
SCHEMBL30440111 0.82 PIK3CA (0.64) PIK3CAMAPKAPK2AKT1ACVR1CCNB2
SCHEMBL730195 0.81 PIK3CA (0.84) PIK3CAAKT1MAPK10ACVR1CLK1
SCHEMBL5653842 0.81 PIK3CA (0.62) PIK3CATLR8ACVR1CAMKK1CAMKK2
Ammonia Solution, Strong SCHEMBL28021055 0.81 PIK3CA (0.61) PIK3CAAKT1TLR8ACVR1CAMKK1
SCHEMBL730355 0.80 PIK3CA (0.70) PIK3CAAKT1MAPK10ACVR1CAMKK1
SCHEMBL27278122 0.80 BMP4 (0.57) PIK3CATLR8ACVR1CAMKK1CAMKK2
SCHEMBL16585910 0.79 PIK3CA (0.60) PIK3CATLR8ACVR1CAMKK1CAMKK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9120749-B2 Quinoline derivatives and MELK inhibitors containing the same ONCOTHERAPY SCIENCE, INC. (JP) 2015-09-01 US disclosed
US-9120749-B2 Quinoline derivatives and MELK inhibitors containing the same ONCOTHERAPY SCIENCE, INC. (JP) 2015-09-01 US disclosed
US-9120749-B2 Quinoline derivatives and MELK inhibitors containing the same ONCOTHERAPY SCIENCE, INC. (JP) 2015-09-01 US disclosed
US-20130217671-A1 QUINOLINE DERIVATIVES AND MELK INHIBITORS CONTAINING THE SAME ONCOTHERAPY SCIENCE, INC. (JP) 2013-08-22 US disclosed
US-20130217671-A1 QUINOLINE DERIVATIVES AND MELK INHIBITORS CONTAINING THE SAME ONCOTHERAPY SCIENCE, INC. (JP) 2013-08-22 US disclosed
US-20130217671-A1 QUINOLINE DERIVATIVES AND MELK INHIBITORS CONTAINING THE SAME ONCOTHERAPY SCIENCE, INC. (JP) 2013-08-22 US disclosed
EP-2597955-A1 QUINOLINE DERIVATIVES AND MELK INHIBITORS CONTAINING THE SAME OncoTherapy Science, Inc. (JP) 2013-06-05 EP disclosed
WO-2012016082-A1 QUINOLINE DERIVATIVES AND MELK INHIBITORS CONTAINING THE SAME ONCOTHERAPY SCIENCE, INC. (JP) 2012-02-02 WO 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-20130217671-A1 QUINOLINE DERIVATIVES AND MELK INHIBITORS CONTAINING THE SAME MELK, NADK, NEK1 PIK3CA 2257/4885MAPKAPK2 33/4885AKT1 1580/4885

“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.