SCHEMBL24833959

SCHEMBL24833959

CCOC(=O)c1c(C#N)nn2ccc(=O)[nH]c12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLAT P00750 4/20 0.41
POLB P06746 2/20 0.40
KDM4E B2RXH2 5/20 0.38
ALDH1A1 P00352 5/20 0.38
ATM Q13315 2/20 0.38
GLA P06280 1/20 0.38
HTT P42858 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
HPGD P15428 1/20 0.37
HSD17B10 Q99714 1/20 0.37
ADORA3 P0DMS8 1/20 0.37
MAPT P10636 3/20 0.37
LMNA P02545 2/20 0.36
ELANE P08246 1/20 0.36
KMT2A Q03164 1/20 0.36
MAPK1 P28482 1/20 0.36
NPC1 O15118 1/20 0.36
TDP2 O95551 1/20 0.36
NSD2 O96028 1/20 0.36

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
SCHEMBL14881615 0.84 PLAT (0.53) PLATKDM4EALDH1A1ATMHTT
SCHEMBL15307002 0.81 KMT2A (0.46) PLATKDM4EALDH1A1ATMHTT
SCHEMBL23013790 0.81 PLAT (0.43) PLATKDM4EALDH1A1ATMHTT
SCHEMBL22018907 0.75 PLAT (0.44) PLATPOLBKDM4EALDH1A1ATM
SCHEMBL404918 0.71 PLAT (0.53) PLATKDM4EALDH1A1GLAHPGD
SCHEMBL28516116 0.71 ALDH1A1 (0.49) POLBKDM4EALDH1A1HPGDHSD17B10
SCHEMBL24274526 0.69 ADORA3 (0.46) PLATPOLBKDM4EALDH1A1ADORA3
SCHEMBL17820828 0.68 PLAT (0.36) PLATKMT2ANPC1RAB9A
SCHEMBL24533108 0.67 TSHR (0.46) PLATPOLBKDM4EALDH1A1ATM
SCHEMBL14881835 0.66 MAPT (0.42) PLATPOLBKDM4EALDH1A1ATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230002410-A1 COMPOUND AS HIGHLY SELECTIVE ROS1 INHIBITOR AND USE THEREOF GUANGZHOU JOYO PHARMATECH CO., LTD. (CN) 2023-01-05 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 (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-20230002410-A1 COMPOUND AS HIGHLY SELECTIVE ROS1 INHIBITOR AND USE THEREOF ROS1, NOX1, NOX4 PLAT 4087/4885POLB 3255/4885KDM4E 3339/4885

“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.