SCHEMBL175432

SCHEMBL175432

Nc1n[nH]c2ncc(F)cc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RET P07949 1/20 0.38
PI4KA P42356 1/20 0.38
XDH P47989 1/20 0.38
LRRK2 Q5S007 1/20 0.38
PI4K2B Q8TCG2 1/20 0.38
PI4K2A Q9BTU6 1/20 0.38
PI4KB Q9UBF8 1/20 0.38
DYRK1A Q13627 1/20 0.34
GSK3A P49840 1/20 0.34
GSK3B P49841 1/20 0.34
MAPK1 P28482 5/20 0.33
CYP1A2 P05177 2/20 0.33
METAP2 P50579 1/20 0.33
SGK1 O00141 3/20 0.33
HTT P42858 1/20 0.33
MKNK1 Q9BUB5 1/20 0.33
PDPK1 O15530 3/20 0.32
JAK2 O60674 2/20 0.32
GAA P10253 2/20 0.32
KDM4E B2RXH2 1/20 0.32

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
SCHEMBL30440210 1.00 RET (0.38) RETPI4KAXDHLRRK2PI4K2B
SCHEMBL29859310 0.79 MAPK1 (0.32) DYRK1AMAPK1
SCHEMBL174737 0.78 GRM4 (0.32) GSK3AGSK3BCYP1A2GRM4
SCHEMBL30242908 0.78 GRM4 (0.32) RETLRRK2DYRK1AGSK3AGSK3B
SCHEMBL14685108 0.78 GRM4 (0.32) RETLRRK2DYRK1AGSK3AGSK3B
SCHEMBL14070089 0.78 GRM4 (0.39) GSK3AGSK3BCYP1A2GRM4
SCHEMBL30806243 0.78 GRM4 (0.39) GSK3AGSK3BCYP1A2GRM4
SCHEMBL9977698 0.77 PIK3CG (0.35) GSK3AGSK3BJAK2
SCHEMBL12467604 0.77 NTRK1 (0.43) DYRK1AMAPK1
SCHEMBL12467651 0.77 NTRK1 (0.38) RETPI4KAXDHLRRK2PI4K2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118388478-A Pyrazole derivative and preparation method and application thereof 河北科技大学 2024-07-26 CN claimed
US-12064429-B2 Substituted 5-fluoro-1H-pyrazolopyridines and their use ADVERIO PHARMA GMBH (DE) 2024-08-20 US disclosed
CN-118388478-A Pyrazole derivative and preparation method and application thereof 河北科技大学 2024-07-26 CN disclosed
CN-112313232-B Novel heterocyclic derivatives JW中外制药公司 2024-03-08 CN disclosed
CN-117567461-A Preparation method of vitamin Li Xigu intermediate 佛山奕安赛医药科技有限公司 2024-02-20 CN disclosed
CN-117362318-A PB2 inhibitor and preparation method and application thereof 西藏海思科制药有限公司 2024-01-09 CN disclosed
US-20230339943-A1 ANTI-INFLUENZA VIRUS PYRIMIDINE DERIVATIVES Guangdong Raynovent Biotech Co., Ltd. (CN) 2023-10-26 US disclosed
CN-115698011-B PB2 inhibitor and preparation method and application thereof 四川海思科制药有限公司 2023-10-20 CN disclosed
US-20230265107-A1 PB2 INHIBITOR, AND PREPARATION METHOD THEREFOR AND USE THEREOF SICHUAN HAISCO PHARMACEUTICAL CO., LTD. (CN) 2023-08-24 US disclosed
US-20230265107-A1 PB2 INHIBITOR, AND PREPARATION METHOD THEREFOR AND USE THEREOF SICHUAN HAISCO PHARMACEUTICAL CO., LTD. (CN) 2023-08-24 US disclosed
WO-2009145814-A2 PYRIMIDINES AND PYRIDINES USEFUL AS INHIBITORS OF PROTEIN KINASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-12-03 WO disclosed
WO-2009018415-A1 PROCESS FOR PREPARING 5-FLUORO-1H-PYRAZOLO [3, 4-B] PYRIDIN-3-AMINE AND DERIVATIVES THEREOF VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-02-05 WO disclosed
WO-2009018415-A1 PROCESS FOR PREPARING 5-FLUORO-1H-PYRAZOLO [3, 4-B] PYRIDIN-3-AMINE AND DERIVATIVES THEREOF VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-02-05 WO disclosed
WO-2009018415-A1 PROCESS FOR PREPARING 5-FLUORO-1H-PYRAZOLO [3, 4-B] PYRIDIN-3-AMINE AND DERIVATIVES THEREOF VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-02-05 WO disclosed
WO-2008112642-A1 AMINOPYRIMIDINES USEFUL AS INHIBITORS OF PROTEIN KINASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-09-18 WO disclosed
WO-2008112642-A1 AMINOPYRIMIDINES USEFUL AS INHIBITORS OF PROTEIN KINASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-09-18 WO disclosed
WO-2008112651-A2 AMINOPYRIMIDINES USEFUL AS INHIBITORS OF PROTEIN KINASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-09-18 WO disclosed
WO-2008112651-A2 AMINOPYRIMIDINES USEFUL AS INHIBITORS OF PROTEIN KINASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-09-18 WO disclosed
WO-2008112646-A1 AMINOPYRIDINES USEFUL AS INHIBITORS OF PROTEIN KINASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-09-18 WO disclosed
WO-2008112646-A1 AMINOPYRIDINES USEFUL AS INHIBITORS OF PROTEIN KINASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-09-18 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-12064429-B2 Substituted 5-fluoro-1H-pyrazolopyridines and their use PFKP, PON1, FABP3 RET 3368/4885PI4KA 1201/4885XDH 40/4885
US-20230265107-A1 PB2 INHIBITOR, AND PREPARATION METHOD THEREFOR AND USE THEREOF CYP11B2, WEE2, CYP11B1 RET 2422/4885PI4KA 4128/4885XDH 291/4885
US-20230339943-A1 ANTI-INFLUENZA VIRUS PYRIMIDINE DERIVATIVES ENTPD5, NUDT1, ITPA RET 3562/4885PI4KA 1112/4885XDH 60/4885

“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.