SCHEMBL4266243

SCHEMBL4266243

COc1cc(Cl)cc2c(C)csc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.44
MAP3K14 Q99558 1/20 0.36
ERN1 O75460 1/20 0.34
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CDK4 P11802 1/20 0.32
CCNA2 P20248 1/20 0.32
CCND1 P24385 1/20 0.32
CDK2 P24941 1/20 0.32
GSK3B P49841 1/20 0.32
CCNA1 P78396 1/20 0.32
TRPV4 Q9HBA0 1/20 0.32
CSNK2A2 P19784 1/20 0.32
CSNK2B P67870 1/20 0.32
CSNK2A1 P68400 1/20 0.32
TUBB4A P04350 2/20 0.31
TUBB P07437 2/20 0.31
TUBA3C P0DPH7 2/20 0.31
TUBA1B P68363 2/20 0.31
TUBA4A P68366 2/20 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
SCHEMBL22186154 0.81 ACHE (0.43) CYP2A6ERN1ALDH1A1MAPTSMN1; SMN2
SCHEMBL7481017 0.79 CYP2A6 (0.52) CYP2A6
SCHEMBL10731147 0.79 CYP2A6 (0.37) CYP2A6PDE3BPDE3A
SCHEMBL7470456 0.77 CYP2A6 (0.50) CYP2A6ALDH1A1
SCHEMBL4264988 0.74 CYP2A6 (0.47) CYP2A6
SCHEMBL3483704 0.71 CYP2A6 (0.37) CYP2A6ALDH1A1IDO1
SCHEMBL22132791 0.71 ERN1 (0.34) MAP3K14ERN1ALDH1A1TRPV4L3MBTL1
SCHEMBL787838 0.70 NQO2 (0.40) KDM4EALDH1A1MAPTSMN1; SMN2L3MBTL1
SCHEMBL24227136 0.67 GAA (0.32) MAP3K14ERN1ALDH1A1SMN1; SMN2
SCHEMBL22132832 0.67 ERN1 (0.37) MAP3K14ERN1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3670513-B1 FGFR INHIBITOR AND MEDICAL APPLICATION THEREOF CSPC ZHONGQI PHARMACEUTICAL TECH SHIJIAZHUANG CO LTD (CN) 2023-09-20 EP disclosed
US-11236094-B2 Substituted pyrrolo[2,1-f][1,2,4]triazines as FGFR inhibitors CSPC ZHONGQI PHARMACEUTICALL TECHNOLOGY (SHIJIAZHUANG) CO., LTD. (CN) 2022-02-01 US disclosed
US-20200207773-A1 FGFR INHIBITOR AND MEDICAL APPLICATION THEREOF CSPC ZHONGQI PHARMACEUTICAL TECHNOLOGY (SHIJIAZHUANG) CO., LTD. (CN) 2020-07-02 US disclosed
EP-3670513-A1 FGFR INHIBITOR AND MEDICAL APPLICATION THEREOF CSPC Zhongqi Pharmaceutical Technology (Shijiazhuang) Co., Ltd. (CN) 2020-06-24 EP disclosed
EP-2134683-A2 NOVEL INHIBITORS HEPATITIS C VIRUS REPLICATION Intermune, Inc. (US) 2009-12-23 EP disclosed
US-20090047246-A1 NOVEL INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2009-02-19 US disclosed
US-20090047246-A1 NOVEL INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2009-02-19 US disclosed
US-20090047246-A1 NOVEL INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2009-02-19 US disclosed
WO-2008100867-A2 NOVEL INHIBITORS HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2008-08-21 WO disclosed
WO-2008100867-A2 NOVEL INHIBITORS HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2008-08-21 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-11236094-B2 Substituted pyrrolo[2,1-f][1,2,4]triazines as FGFR inhibitors FGFR1, FGFR2, FGFR4 CYP2A6 2645/4885MAP3K14 510/4885ERN1 3460/4885
US-20090047246-A1 NOVEL INHIBITORS OF HEPATITIS C VIRUS REPLICATION EIF2AK2, HAVCR2, HCCS CYP2A6 1364/4885MAP3K14 1543/4885ERN1 69/4885
US-20200207773-A1 FGFR INHIBITOR AND MEDICAL APPLICATION THEREOF FGFR1, FGFR2, FGFR3 CYP2A6 2860/4885MAP3K14 295/4885ERN1 3106/4885

“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.