SCHEMBL17560600

SCHEMBL17560600

CC(C)(C)OC(=O)/N=C(\NC(=O)OC(C)(C)C)Nc1cc(N)cc(F)c1

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 1/20 0.33
MAP4K4 O95819 1/20 0.33
HDAC1 Q13547 2/20 0.32
HDAC2 Q92769 2/20 0.32
MAPKAPK2 P49137 4/20 0.31
RORC P51449 2/20 0.31
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30

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
SCHEMBL17560601 1.00 NR1H4 (0.33) NR1H4MAP4K4HDAC1HDAC2MAPKAPK2
SCHEMBL17560478 0.85 HTR6 (0.36) NR1H4MAP4K4MAPKAPK2
SCHEMBL17570145 0.85 HTR6 (0.36) NR1H4MAP4K4MAPKAPK2
SCHEMBL19426643 0.85 KDM4E (0.39) MAPKAPK2
SCHEMBL17560477 0.85 HTR6 (0.36) NR1H4MAP4K4MAPKAPK2
SCHEMBL19271241 0.83 HDAC1 (0.31) MAP4K4HDAC1HDAC2
SCHEMBL19275814 0.82 ALDH1A1 (0.47) MAP4K4HDAC1HDAC2CA1CA2
SCHEMBL17569733 0.82 ALDH1A1 (0.47) MAP4K4HDAC1HDAC2CA1CA2
SCHEMBL16355923 0.82 MEN1 (0.44)
SCHEMBL17560485 0.82 MAPT (0.40)

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 NR1H4 1187/4885MAP4K4 1440/4885HDAC1 229/4885

“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.