SCHEMBL17560477

SCHEMBL17560477

COc1cc(N)cc(N/C(=N/C(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.36
KMT2A Q03164 5/20 0.35
POLB P06746 1/20 0.35
ALDH1A1 P00352 3/20 0.35
GAA P10253 3/20 0.35
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
MEN1 O00255 2/20 0.34
TP53 P04637 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
HTT P42858 1/20 0.33
MAPKAPK2 P49137 1/20 0.33
PLAU P00749 1/20 0.33
NR1H4 Q96RI1 1/20 0.32
MAP4K4 O95819 1/20 0.32

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
SCHEMBL17560478 1.00 HTR6 (0.36) HTR6KMT2APOLBALDH1A1GAA
SCHEMBL17570145 1.00 HTR6 (0.36) HTR6KMT2APOLBALDH1A1GAA
SCHEMBL19426643 0.86 KDM4E (0.39) KMT2APOLBALDH1A1SMN1; SMN2MEN1
SCHEMBL17560601 0.85 NR1H4 (0.33) MAPKAPK2NR1H4MAP4K4
SCHEMBL17560600 0.85 NR1H4 (0.33) MAPKAPK2NR1H4MAP4K4
SCHEMBL19271237 0.83 HTR6 (0.39) HTR6KMT2APOLBALDH1A1GAA
SCHEMBL17560319 0.82 RAB9A (0.48) KMT2APOLBALDH1A1GAANPC1
SCHEMBL17569413 0.82 MAPT (0.49) KMT2APOLBALDH1A1NPC1RAB9A
SCHEMBL19275673 0.82 MAPT (0.49) KMT2APOLBALDH1A1NPC1RAB9A
SCHEMBL1667284 0.82 KMT2A (0.44) HTR6KMT2APOLBALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9944641-B2 Isoquinolinone derivatives useful in the treatment of cancer PIERRE FABRE MEDICAMENT (FR) 2018-04-17 US disclosed
US-9944641-B2 Isoquinolinone derivatives useful in the treatment of cancer PIERRE FABRE MEDICAMENT (FR) 2018-04-17 US disclosed
US-20170240544-A1 ISOQUINOLINONE DERIVATIVES USEFUL IN THE TREATMENT OF CANCER PIERRE FABRE MEDICAMENT (FR) 2017-08-24 US disclosed
US-20170240544-A1 ISOQUINOLINONE DERIVATIVES USEFUL IN THE TREATMENT OF CANCER PIERRE FABRE MEDICAMENT (FR) 2017-08-24 US disclosed
EP-3189051-A1 ISOQUINOLINONE DERIVATIVES USEFUL IN THE TREATMENT OF CANCER Pierre Fabre Médicament (FR) 2017-07-12 EP disclosed
WO-2016034642-A1 ISOQUINOLINONE DERIVATIVES USEFUL IN THE TREATMENT OF CANCER PIERRE FABRE MEDICAMENT (FR) 2016-03-10 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-20170240544-A1 ISOQUINOLINONE DERIVATIVES USEFUL IN THE TREATMENT OF CANCER TP53, KRAS, AQP1 HTR6 4054/4885KMT2A 1365/4885POLB 925/4885

“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.