SCHEMBL13197992

SCHEMBL13197992

Cc1ccc(NC(=O)OC(C)(C)C)cc1C

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.58
CA1 P00915 1/20 0.58
CA9 Q16790 1/20 0.58
POLB P06746 3/20 0.56
PSMB8 P28062 1/20 0.48
TSHR P16473 2/20 0.48
RECQL P46063 1/20 0.48
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
ALDH1A1 P00352 2/20 0.47
GAA P10253 2/20 0.47
KDM4E B2RXH2 1/20 0.47
KMT2A Q03164 1/20 0.47
MAPT P10636 1/20 0.47
CYP17A1 P05093 1/20 0.47
HDAC1 Q13547 2/20 0.47
HDAC7 Q8WUI4 2/20 0.47
HDAC8 Q9BY41 2/20 0.47
HDAC6 Q9UBN7 2/20 0.47
HDAC3 O15379 1/20 0.46

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
SCHEMBL4945924 0.87 CA12 (0.56) CA12CA1CA9POLBPSMB8
SCHEMBL20865561 0.87 ALDH1A1 (0.56) CA12CA1CA9POLBPSMB8
SCHEMBL29757277 0.87 CA12 (0.56) CA12CA1CA9POLBPSMB8
SCHEMBL4700051 0.87 CA12 (0.56) CA12CA1CA9POLBPSMB8
SCHEMBL6490343 0.85 MEN1 (0.60) CA12CA1CA9POLBTSHR
SCHEMBL714227 0.85 CA12 (0.54) CA12CA1CA9POLBPSMB8
SCHEMBL31214788 0.85 CA12 (0.54) CA12CA1CA9PSMB8TSHR
SCHEMBL2349732 0.85 CA12 (0.54) CA12CA1CA9PSMB8TSHR
SCHEMBL30078221 0.85 CA12 (0.54) CA12CA1CA9POLBPSMB8
SCHEMBL31284612 0.85 CA12 (0.54) CA12CA1CA9POLBPSMB8

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-3452465-B1 SUBSTITUTED 2, 4-DIAMINO-QUINOLINE DERIVATIVES FOR USE IN THE TREATMENT OF PROLIFERATIVE DISEASES GENOSCIENCE PHARMA (FR) 2020-11-04 EP disclosed
US-10577362-B2 Substituted 2, 4-diamino-quinoline derivatives for use in the treatment of proliferative diseases GENOSCIENCE PHARMA (FR) 2020-03-03 US disclosed
US-20190144437-A1 SUBSTITUTED 2, 4-DIAMINO-QUINOLINE DERIVATIVES FOR USE IN THE TREATMENT OF PROLIFERATIVE DISEASES GENOSCIENCE PHARMA (FR) 2019-05-16 US disclosed
WO-2017191599-A1 SUBSTITUTED 2, 4-DIAMINO-QUINOLINE DERIVATIVES FOR USE IN THE TREATMENT OF PROLIFERATIVE DISEASES GENOSCIENCE PHARMA (FR) 2017-11-09 WO disclosed
US-20100197688-A1 EPHA4 RTK INHIBITORS FOR TREATMENT OF NEUROLOGICAL AND NEURODEGENERATIVE DISORDERS AND CANCER MSD K.K. (JP) 2010-08-05 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 (3 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-20190144437-A1 SUBSTITUTED 2, 4-DIAMINO-QUINOLINE DERIVATIVES FOR USE IN THE TREATMENT OF PROLIFERATIVE DISEASES NQO2, RECQL, CCNO CA12 3519/4885CA1 4436/4885CA9 3335/4885
US-10577362-B2 Substituted 2, 4-diamino-quinoline derivatives for use in the treatment of proliferative diseases NQO2, RECQL, CCNO CA12 3519/4885CA1 4436/4885CA9 3335/4885
US-20100197688-A1 EPHA4 RTK INHIBITORS FOR TREATMENT OF NEUROLOGICAL AND NEURODEGENERATIVE DISORDERS AND CANCER EPHA4, EPHA1, ERBB4 CA12 4609/4885CA1 4342/4885CA9 4117/4885

“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.