SCHEMBL209571

SCHEMBL209571

CN(C)c1ccc(-c2nc3c(N4CCN(CC(=O)Nc5nccs5)CC4)c(Cl)cnc3[nH]2)cc1

nearest known ligand 0.80

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AURKA O14965 14/20 0.80
CYP3A4 P08684 1/20 0.80
CYP2D6 P10635 1/20 0.80
CYP2C9 P11712 1/20 0.80
AURKB Q96GD4 1/20 0.80
AURKC Q9UQB9 1/20 0.80
FGFR1 P11362 1/20 0.64
FGFR2 P21802 1/20 0.64
FGFR4 P22455 1/20 0.64
FGFR3 P22607 1/20 0.64
LMNA P02545 1/20 0.46
KMT2A Q03164 1/20 0.46
KCNA5 P22460 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
SCHEMBL2733725 0.91 AURKA (0.68) AURKACYP3A4CYP2D6CYP2C9AURKB
SCHEMBL207884 0.91 AURKA (0.80) AURKACYP3A4CYP2D6CYP2C9AURKB
SCHEMBL14495789 0.91 AURKA (0.65) AURKACYP3A4CYP2D6CYP2C9AURKB
SCHEMBL211566 0.90 AURKA (0.66) AURKACYP3A4CYP2D6CYP2C9AURKB
SCHEMBL210791 0.89 AURKA (0.80) AURKACYP3A4CYP2D6CYP2C9AURKB
SCHEMBL207556 0.89 AURKA (0.80) AURKACYP3A4CYP2D6CYP2C9AURKB
SCHEMBL29400762 0.89 AURKA (1.00) AURKACYP3A4CYP2D6CYP2C9AURKB
SCHEMBL209775 0.89 AURKA (0.63) AURKACYP3A4CYP2D6CYP2C9AURKB
SCHEMBL210005 0.88 AURKA (0.65) AURKACYP3A4CYP2D6CYP2C9AURKB
SCHEMBL208782 0.87 AURKA (0.67) AURKACYP3A4CYP2D6CYP2C9AURKB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210213037-A1 METHODS FOR TREATING FIBROSIS CHILDREN'S HOSPITAL MEDICAL CENTER (US) 2021-07-15 US claimed
EP-3752161-A1 METHODS FOR TREATING FIBROSIS Children's Hospital Medical Center (US) 2020-12-23 EP claimed
WO-2019161000-A1 METHODS FOR TREATING FIBROSIS CHILDREN'S HOSPITAL MEDICAL CENTER (US) 2019-08-22 WO claimed
US-20210213037-A1 METHODS FOR TREATING FIBROSIS CHILDREN'S HOSPITAL MEDICAL CENTER (US) 2021-07-15 US disclosed
EP-3752161-A1 METHODS FOR TREATING FIBROSIS Children's Hospital Medical Center (US) 2020-12-23 EP disclosed
WO-2019161000-A1 METHODS FOR TREATING FIBROSIS CHILDREN'S HOSPITAL MEDICAL CENTER (US) 2019-08-22 WO disclosed
EP-1963315-B1 ENZYME INHIBITORS CANCER REC TECH LTD (GB) 2014-10-08 EP disclosed
US-20140038920-A1 TFEB PHOSPHORYLATION INHIBITORS AND USES THEREOF FONDAZIONE TELETHON (IT) 2014-02-06 US disclosed
US-20140038920-A1 TFEB PHOSPHORYLATION INHIBITORS AND USES THEREOF FONDAZIONE TELETHON (IT) 2014-02-06 US disclosed
US-8088761-B2 Enzyme inhibitors CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2012-01-03 US disclosed
US-8088761-B2 Enzyme inhibitors CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2012-01-03 US disclosed
US-8088761-B2 Enzyme inhibitors CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2012-01-03 US disclosed
US-20090247507-A1 Enzyme Inhibitors THE INSTITUTE OF CANCER RESEARCH (GB) 2009-10-01 US disclosed
US-20090247507-A1 Enzyme Inhibitors THE INSTITUTE OF CANCER RESEARCH (GB) 2009-10-01 US disclosed
US-20090247507-A1 Enzyme Inhibitors THE INSTITUTE OF CANCER RESEARCH (GB) 2009-10-01 US disclosed
WO-2007072017-A2 ENZYME INHIBITORS THE INSTITUTE OF CANCER RESEARCH (GB) 2007-06-28 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 (2 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-20140038920-A1 TFEB PHOSPHORYLATION INHIBITORS AND USES THEREOF TFEB, SQSTM1, ULK1 AURKA 1740/4885CYP3A4 4112/4885CYP2D6 4404/4885
US-20090247507-A1 Enzyme Inhibitors AURKC, AURKB, AURKA AURKA 3/4885CYP3A4 439/4885CYP2D6 1028/4885

“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.