SCHEMBL10246668

SCHEMBL10246668

CC(=O)c1cnn2ccc(Cl)nc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 6/20 0.43
PIK3CA P42336 3/20 0.39
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
EPHB3 P54753 2/20 0.38
NLRP3 Q96P20 1/20 0.38
IRAK4 Q9NWZ3 2/20 0.38
TYK2 P29597 1/20 0.38
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37
JAK2 O60674 4/20 0.37
MAPK1 P28482 1/20 0.37
NTRK1 P04629 1/20 0.36
FYN P06241 1/20 0.36
CYP3A4 P08684 1/20 0.36
ROS1 P08922 1/20 0.36
NTRK3 Q16288 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
SCHEMBL461050 0.87 FLT3 (0.44) FLT3PIK3CASMN1; SMN2EPHB3IRAK4
SCHEMBL401639 0.85 FLT3 (0.41) FLT3PIK3CANPC1RAB9ASMN1; SMN2
SCHEMBL448581 0.84 TGFBR1 (0.46) FLT3IRAK4TYK2JAK2NTRK1
SCHEMBL10190991 0.83 PDE4B (0.47) FLT3NPC1RAB9AEPHB3IRAK4
SCHEMBL30993352 0.83 TGFBR1 (0.49) NPC1RAB9ASMN1; SMN2EPHB3NLRP3
SCHEMBL4102470 0.82 TYK2 (0.38) NPC1RAB9ASMN1; SMN2IRAK4TYK2
SCHEMBL4106502 0.82 TYK2 (0.52) NPC1RAB9ASMN1; SMN2IRAK4TYK2
SCHEMBL22097418 0.82 FLT3 (0.38) FLT3PIK3CANPC1RAB9ASMN1; SMN2
SCHEMBL30267077 0.80 FLT3 (0.38) FLT3PIK3CAEPHB3JAK2NTRK1
SCHEMBL402097 0.80 JAK2 (0.48) IRAK4JAK2NTRK1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113166156-B Tyrosine kinase inhibitors, compositions and methods 贝达药业股份有限公司 2024-02-27 CN disclosed
US-20230365562-A1 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. 2023-11-16 US disclosed
US-11807636-B2 IRAK degraders and uses thereof KYMERA THERAPEUTICS, INC. (US) 2023-11-07 US disclosed
US-11779578-B2 IRAK degraders and uses thereof KYMERA THERAPEUTICS, INC. (US) 2023-10-10 US disclosed
US-20230250110-A1 DEUTERATED IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. 2023-08-10 US disclosed
US-11707457-B2 IRAK degraders and uses thereof KYMERA THERAPEUTICS, INC. (US) 2023-07-25 US disclosed
US-11685750-B2 Crystalline forms of IRAK degraders KYMERA THERAPEUTICS, INC. (US) 2023-06-27 US disclosed
US-20230144292-A1 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. 2023-05-11 US disclosed
US-20210395256-A1 TYROSINE KINASE INHIBITORS, COMPOSITIONS AND METHODS THERE OF BETTA PHARMACEUTICALS CO., LTD. (CN) 2021-12-23 US disclosed
CN-113166156-A Tyrosine kinase inhibitors, compositions and methods thereof 贝达药业股份有限公司 2021-07-23 CN disclosed
WO-2020233645-A1 MACROLIDE DERIVATIVES, PREPARATION METHOD AND APPLICATION THEREOF 浙江海正药业股份有限公司 (CN) 2020-11-26 WO disclosed
WO-2020114499-A1 TYROSINE KINASE INHIBITORS, COMPOSITIONS AND METHODS THERE OF BETTA PHARMACEUTICALS CO., LTD (CN) 2020-06-11 WO disclosed
US-20120022043-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS GENENTECH, INC. (US) 2012-01-26 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 (9 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-20210395256-A1 TYROSINE KINASE INHIBITORS, COMPOSITIONS AND METHODS THERE OF ABL1, LCK, ERBB2 FLT3 43/4885PIK3CA 110/4885NPC1 1809/4885
US-20230365562-A1 IRAK DEGRADERS AND USES THEREOF IRAK2, IRAK3, IRAK1 FLT3 60/4885PIK3CA 142/4885NPC1 3159/4885
US-20120022043-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 FLT3 16/4885PIK3CA 255/4885NPC1 2785/4885
US-11685750-B2 Crystalline forms of IRAK degraders IRAK1, IRAK2, IRAK4 FLT3 383/4885PIK3CA 1122/4885NPC1 973/4885
US-11807636-B2 IRAK degraders and uses thereof IRAK2, IRAK3, IRAK1 FLT3 60/4885PIK3CA 142/4885NPC1 3159/4885
US-11779578-B2 IRAK degraders and uses thereof IRAK2, IRAK3, IRAK1 FLT3 60/4885PIK3CA 142/4885NPC1 3159/4885
US-20230250110-A1 DEUTERATED IRAK DEGRADERS AND USES THEREOF IRAK2, IRAK3, IRAK1 FLT3 39/4885PIK3CA 293/4885NPC1 3929/4885
US-11707457-B2 IRAK degraders and uses thereof IRAK2, IRAK3, IRAK1 FLT3 60/4885PIK3CA 142/4885NPC1 3159/4885
US-20230144292-A1 IRAK DEGRADERS AND USES THEREOF IRAK2, IRAK3, IRAK1 FLT3 60/4885PIK3CA 142/4885NPC1 3159/4885

“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.