SCHEMBL7904205

SCHEMBL7904205

CC(C)(O)Cn1ncc2c(Cl)nc(Cl)nc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK4 O00444 2/20 0.41
HSP90AA1 P07900 4/20 0.38
TRAP1 Q12931 4/20 0.38
HSP90AB1 P08238 1/20 0.38
LRRK2 Q5S007 3/20 0.36
HSP90B1 P14625 1/20 0.35
PDE2A O00408 5/20 0.35
PAK4 O96013 1/20 0.35
GAA P10253 1/20 0.32
CNR2 P34972 2/20 0.32
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
MAPK1 P28482 1/20 0.31
CASP1 P29466 1/20 0.31
CASP7 P55210 1/20 0.31
ATM Q13315 1/20 0.31
HSD17B10 Q99714 1/20 0.31
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL23579830 0.81 HSP90AA1 (0.40) PLK4HSP90AA1TRAP1HSP90AB1LRRK2
SCHEMBL2189832 0.79 ADORA3 (0.43) HSP90AA1TRAP1HSP90AB1HSP90B1PDE2A
SCHEMBL14790923 0.79 KDM4E (0.43) PLK4HSP90AB1PDE2APAK4GAA
SCHEMBL7919817 0.78 ALOX5AP (0.36) PLK4HSP90AA1TRAP1HSP90AB1LRRK2
SCHEMBL7919917 0.76 CYP1A2 (0.39) HSP90AA1TRAP1HSP90AB1HSP90B1PDE2A
SCHEMBL2786539 0.76 PDE1A (0.42) HSP90AA1TRAP1HSP90AB1HSP90B1PDE2A
SCHEMBL31051055 0.75 PDE9A (0.44) HSP90AA1TRAP1PDE2A
SCHEMBL16981657 0.75 PDE9A (0.44) HSP90AA1TRAP1PDE2A
SCHEMBL17926576 0.74 HSP90AA1 (0.39) HSP90AA1TRAP1HSP90AB1HSP90B1PDE2A
SCHEMBL11909416 0.74 KMO (0.46) HSP90AA1TRAP1HSP90AB1HSP90B1PDE2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230234954-A1 COMPOUND USED AS RET KINASE INHIBITOR AND APPLICATION THEREOF TYK MEDICINES, INC. (CN) 2023-07-27 US disclosed
US-20230234954-A1 COMPOUND USED AS RET KINASE INHIBITOR AND APPLICATION THEREOF TYK MEDICINES, INC. (CN) 2023-07-27 US disclosed
EP-2382207-B1 PI3K/MTOR KINASE INHIBITORS XCOVERY HOLDING CO LLC (US) 2015-04-29 EP disclosed
US-8912178-B2 mTOR selective kinase inhibitors Xcovery Holdings Company, LLC (US) 2014-12-16 US disclosed
US-8912178-B2 mTOR selective kinase inhibitors Xcovery Holdings Company, LLC (US) 2014-12-16 US disclosed
US-8586582-B2 PI3K/mTOR kinase inhibitors XCOVERY HOLDING COMPANY, LLC (US) 2013-11-19 US disclosed
US-8586582-B2 PI3K/mTOR kinase inhibitors XCOVERY HOLDING COMPANY, LLC (US) 2013-11-19 US disclosed
US-20130072481-A1 mTOR SELECTIVE KINASE INHIBITORS XCOVERY HOLDING COMPANY, LLC (US) 2013-03-21 US disclosed
US-20130072481-A1 mTOR SELECTIVE KINASE INHIBITORS XCOVERY HOLDING COMPANY, LLC (US) 2013-03-21 US disclosed
US-20110281857-A1 PI3K/MTOR KINASE INHIBITORS XCOVERY HOLDING COMPANY, LLC (US) 2011-11-17 US disclosed
US-20110281857-A1 PI3K/MTOR KINASE INHIBITORS XCOVERY HOLDING COMPANY, LLC (US) 2011-11-17 US disclosed
WO-2010056320-A2 PI3K/MTOR KINASE INHIBITORS TYROGENEX, INC. (US) 2010-05-20 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 (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-20230234954-A1 COMPOUND USED AS RET KINASE INHIBITOR AND APPLICATION THEREOF RET, ROR1, FGFR3 PLK4 1763/4885HSP90AA1 4378/4885TRAP1 4597/4885
US-20130072481-A1 mTOR SELECTIVE KINASE INHIBITORS MTOR, ULK1, ULK2 PLK4 156/4885HSP90AA1 1352/4885TRAP1 747/4885
US-20110281857-A1 PI3K/MTOR KINASE INHIBITORS MTOR, PIK3CA, PI4KA PLK4 167/4885HSP90AA1 1187/4885TRAP1 885/4885

“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.