SCHEMBL17569646

SCHEMBL17569646

CN1CCN(c2ccc(N/C(=N\C(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)cc2)CC1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
NPC1 O15118 10/20 0.46
RAB9A P51151 10/20 0.46
NAMPT P43490 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.44
POLB P06746 1/20 0.43
TSHR P16473 2/20 0.43
MDH1 P40925 1/20 0.43
MDH2 P40926 1/20 0.43
JAK3 P52333 1/20 0.42
MAPT P10636 1/20 0.42
HPGD P15428 1/20 0.42
TAAR1 Q96RJ0 1/20 0.42
HSD17B10 Q99714 1/20 0.42

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
SCHEMBL17560515 1.00 GAA (0.49) GAANPSR1MEN1KMT2ANPC1
SCHEMBL13883482 1.00 GAA (0.49) GAANPSR1MEN1KMT2ANPC1
SCHEMBL17560611 0.87 HTR1D (0.45) GAANPSR1MEN1KMT2ATSHR
SCHEMBL17560614 0.87 HTR1D (0.45) GAANPSR1MEN1KMT2ATSHR
SCHEMBL13883857 0.87 HTR1D (0.45) GAANPSR1MEN1KMT2ATSHR
SCHEMBL28713631 0.84 WNT3A (0.43) MEN1KMT2ASMN1; SMN2TSHRMAPT
SCHEMBL29544744 0.84 WNT3A (0.43) MEN1KMT2ASMN1; SMN2TSHRMAPT
SCHEMBL993933 0.83 GAA (0.64) GAANPSR1MEN1KMT2ANPC1
SCHEMBL10092627 0.82 CYP17A1 (0.48) NAMPTSMN1; SMN2
SCHEMBL14155353 0.82 CYP17A1 (0.48) NAMPTSMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170240544-A1 ISOQUINOLINONE DERIVATIVES USEFUL IN THE TREATMENT OF CANCER PIERRE FABRE MEDICAMENT (FR) 2017-08-24 US 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 GAA 2238/4885NPSR1 3877/4885MEN1 1521/4885

“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.