SCHEMBL786302

SCHEMBL786302

Nc1n[nH]c2c(F)cccc12

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 0.60
FLT3 P36888 1/20 0.60
PLK3 Q9H4B4 1/20 0.60
MAP4K4 O95819 2/20 0.55
CSF1R P07333 2/20 0.55
FGFR1 P11362 2/20 0.55
LTK P29376 2/20 0.55
KDR P35968 2/20 0.55
MAPK8 P45983 2/20 0.55
CSNK1A1 P48729 2/20 0.55
CDK5 Q00535 2/20 0.55
ACVR1 Q04771 2/20 0.55
TNK2 Q07912 2/20 0.55
CLK4 Q9HAZ1 2/20 0.55
DYRK1B Q9Y463 2/20 0.55
PDGFRA P16234 1/20 0.55
LIMK1 P53667 1/20 0.55
AURKB Q96GD4 1/20 0.55
GAA P10253 4/20 0.47
PDPK1 O15530 3/20 0.47

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
SCHEMBL10368900 0.78 CHEK1 (0.64) CHEK1FLT3PLK3MAP4K4CSF1R
SCHEMBL11903870 0.78 GPR84 (0.39) CHEK1FLT3PLK3MAP4K4CSF1R
SCHEMBL14158228 0.78 GPR84 (0.39) CHEK1FLT3PLK3MAP4K4CSF1R
SCHEMBL4234184 0.78 ADORA2A (0.41) CHEK1FLT3PLK3MAP4K4CSF1R
SCHEMBL14158301 0.78 CHEK1 (0.40) CHEK1FLT3PLK3MAP4K4CSF1R
SCHEMBL31539823 0.78 CHEK1 (0.44) CHEK1FLT3PLK3MAP4K4CSF1R
SCHEMBL3654198 0.77 CHEK1 (0.62) CHEK1FLT3PLK3MAP4K4CSF1R
SCHEMBL1376287 0.75 CHEK1 (0.46) CHEK1FLT3PLK3MAP4K4CSF1R
SCHEMBL10370205 0.75 CHEK1 (0.66) CHEK1FLT3PLK3MAP4K4CSF1R
SCHEMBL3004142 0.75 CHEK1 (1.00) CHEK1FLT3PLK3MAP4K4CSF1R

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 91 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024099269-A1 ARYLAMIDE COMPOUND, PHARMACEUTICAL COMPOSITION COMPRISING SAME, USE THEREOF 华东师范大学 2024-05-16 WO disclosed
CN-118026880-A Aryl amide compound, pharmaceutical composition containing same and application thereof 华东师范大学 2024-05-14 CN disclosed
CN-110818683-B 2-pyridine substituted urea structure small molecule compound and synthesis and application thereof 中国科学院上海药物研究所 2023-04-14 CN disclosed
EP-3609883-B1 FLUORINE-SUBSTITUTED INDAZOLE COMPOUNDS AND USES THEREOF SUNSHINE LAKE PHARMA CO LTD (CN) 2022-06-29 EP disclosed
US-11242335-B2 Fluorine-substituted indazole compounds and uses thereof SUNSHINE LAKE PHARMA CO., LTD. (CN) 2022-02-08 US disclosed
US-20210101882-A1 FLUORINE-SUBSTITUTED INDAZOLE COMPOUNDS AND USES THEREOF SUNSHINE LAKE PHARMA CO., LTD. (CN) 2021-04-08 US disclosed
CN-108727340-B Fluorine substituted indazoles and use thereof 广东东阳光药业有限公司 2020-12-29 CN disclosed
US-10668071-B2 (Aza)pyridopyrazolopyrimidinones and indazolopyrimidinones and their use BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2020-06-02 US disclosed
US-10668071-B2 (Aza)pyridopyrazolopyrimidinones and indazolopyrimidinones and their use BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2020-06-02 US disclosed
CN-110818683-A 2-pyridine substituted urea structure small molecule compound and synthesis and application thereof 中国科学院上海药物研究所 2020-02-21 CN disclosed
US-6660731-B2 Alzheimer's disease; anticancer agents; antidiabetic agents VERTEX PHARMACEUTICALS INCORPORATED 2003-12-09 US disclosed
US-6638926-B2 Pyrazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED 2003-10-28 US disclosed
US-6613776-B2 Protein serine/threonine kinase inhibitors used for treating diseases such as cancer, diabetes and Alzheimer's disease VERTEX PHARMACEUTICALS INCORPORATED 2003-09-02 US disclosed
US-6610677-B2 Enhancing glycogen synthesis, lowering blood levels of glucose, treating colon, ovarian, or breast cancer, treating diabetes, treating schizophrenia VERTEX PHARMACEUTICALS INCORPORATED 2003-08-26 US disclosed
US-20030083327-A1 Pyrazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED 2003-05-01 US disclosed
US-20030078166-A1 Pyrazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED 2003-04-24 US disclosed
US-20030073687-A1 Pyrazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED 2003-04-17 US disclosed
US-20030064981-A1 Pyrazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED 2003-04-03 US disclosed
US-20030064982-A1 Pyrazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED 2003-04-03 US disclosed
US-20030055044-A1 Pyrazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED 2003-03-20 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-20030064981-A1 Pyrazole compounds useful as protein kinase inhibitors AURKC, AURKA, GSK3A CHEK1 72/4885FLT3 977/4885PLK3 60/4885
US-20030064982-A1 Pyrazole compounds useful as protein kinase inhibitors MAP3K20, CDK2, MAP2K2 CHEK1 207/4885FLT3 1041/4885PLK3 603/4885
US-20030083327-A1 Pyrazole compounds useful as protein kinase inhibitors AURKC, AURKA, GSK3B CHEK1 85/4885FLT3 578/4885PLK3 117/4885
US-20030055044-A1 Pyrazole compounds useful as protein kinase inhibitors AURKC, AURKA, GSK3B CHEK1 72/4885FLT3 1048/4885PLK3 97/4885
US-10668071-B2 (Aza)pyridopyrazolopyrimidinones and indazolopyrimidinones and their use SERPINB6, SERPINC1, SERPINE1 CHEK1 1512/4885FLT3 522/4885PLK3 456/4885
US-11242335-B2 Fluorine-substituted indazole compounds and uses thereof GUCY1B2, GUCY1A2, PDE3A CHEK1 806/4885FLT3 129/4885PLK3 1920/4885
US-20030073687-A1 Pyrazole compounds useful as protein kinase inhibitors AURKC, AURKA, GSK3B CHEK1 54/4885FLT3 711/4885PLK3 159/4885
US-20210101882-A1 FLUORINE-SUBSTITUTED INDAZOLE COMPOUNDS AND USES THEREOF PDE3A, PDE3B, PDE5A CHEK1 1128/4885FLT3 66/4885PLK3 1357/4885
US-20030078166-A1 Pyrazole compounds useful as protein kinase inhibitors GSK3B, GSK3A, GSKIP CHEK1 176/4885FLT3 978/4885PLK3 85/4885

“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.