SCHEMBL22186154

SCHEMBL22186154

COc1cc(C)cc2c(C)csc12

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.43
ERN1 O75460 1/20 0.33
CNR2 P34972 3/20 0.33
ALDH1A1 P00352 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
CYP2A6 P11509 1/20 0.32
GPR55 Q9Y2T6 1/20 0.31
CYP3A4 P08684 1/20 0.31
NPC1 O15118 1/20 0.31
MAPT P10636 2/20 0.30
AR P10275 1/20 0.30
TSHR P16473 1/20 0.30
KCNA3 P22001 1/20 0.30

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
SCHEMBL4266243 0.81 CYP2A6 (0.44) ERN1ALDH1A1SMN1; SMN2CYP2A6MAPT
SCHEMBL22607120 0.79 ACHE (0.38) ACHEERN1CNR2SMN1; SMN2GPR55
SCHEMBL10731147 0.74 CYP2A6 (0.37) CYP2A6NPC1
SCHEMBL787838 0.73 NQO2 (0.40) ALDH1A1SMN1; SMN2CYP3A4NPC1MAPT
SCHEMBL15424071 0.71 ACHE (0.62) ACHEERN1CNR2ALDH1A1SMN1; SMN2
SCHEMBL22132796 0.69 ACHE (0.43) ACHEERN1CNR2ALDH1A1SMN1; SMN2
SCHEMBL3483738 0.67 TAAR1 (0.38) ALDH1A1CYP2A6CYP3A4
SCHEMBL3483704 0.67 CYP2A6 (0.37) ALDH1A1CYP2A6CYP3A4
SCHEMBL22186841 0.67 MRGPRX1 (0.31)
SCHEMBL18740662 0.66 ACHE (0.39) ACHEERN1CNR2ALDH1A1SMN1; SMN2

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 4 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-20200339606-A1 PROCESS FOR PREPARING BENZOTHIOPHEN-2YL BORONATE BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2020-10-29 US disclosed
US-20200207773-A1 FGFR INHIBITOR AND MEDICAL APPLICATION THEREOF CSPC ZHONGQI PHARMACEUTICAL TECHNOLOGY (SHIJIAZHUANG) CO., LTD. (CN) 2020-07-02 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 (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 ACHE 4885/4885ERN1 3460/4885CNR2 3264/4885
US-20200339606-A1 PROCESS FOR PREPARING BENZOTHIOPHEN-2YL BORONATE BPGM, BRCA1, BRAP ACHE 4734/4885ERN1 3226/4885CNR2 4136/4885
US-20200207773-A1 FGFR INHIBITOR AND MEDICAL APPLICATION THEREOF FGFR1, FGFR2, FGFR3 ACHE 4883/4885ERN1 3106/4885CNR2 4043/4885

“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.