SCHEMBL23909116

SCHEMBL23909116

CCOc1ccc2cn[nH]c2c1Cl

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FGFR2 P21802 4/20 0.45
▸ NOS1 P29475 3/20 0.43
▸ TSHR P16473 2/20 0.43
▸ FGFR1 P11362 3/20 0.42
▸ MAPT P10636 4/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ APAF1 O14727 1/20 0.41
▸ AGPAT2 O15120 1/20 0.41
▸ FGFR3 P22607 1/20 0.40
▸ TRPA1 O75762 1/20 0.39
▸ MEN1 O00255 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ KMT2A Q03164 1/20 0.38

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
SCHEMBL14117233 0.76 NOS1 (0.46) NOS1TSHRFGFR1MAPTKDM4E
SCHEMBL23915355 0.75 TSHR (0.45) FGFR2NOS1TSHRFGFR1MAPT
SCHEMBL23083828 0.73 MAPT (0.61) NOS1TSHRFGFR1MAPTKDM4E
SCHEMBL20883608 0.72 NOS1 (0.46) NOS1TSHRFGFR1MAPTKDM4E
SCHEMBL25395813 0.69 NOS1 (0.50) NOS1TSHRFGFR1MAPTKDM4E
SCHEMBL1072434 0.69 MAPT (0.52) NOS1TSHRFGFR1MAPTKDM4E
SCHEMBL2269592 0.69 NOS1 (0.50) FGFR2NOS1TSHRFGFR1MAPT
SCHEMBL19785592 0.69 NOS1 (0.55) NOS1TSHRFGFR1MAPTKDM4E
SCHEMBL31104474 0.69 NOS1 (0.55) NOS1TSHRFGFR1MAPTKDM4E
SCHEMBL14093003 0.69 NOS1 (0.46) NOS1TSHRFGFR1MAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3649119-B1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF FIBROSIS GALAPAGOS NV (BE) 2021-11-03 — — EP disclosed
EP-3649119-B1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF FIBROSIS GALAPAGOS NV (BE) 2021-11-03 — — EP disclosed
US-20210315893-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF FIBROSIS GILEAD SCIENCES, INC. 2021-10-14 — — US disclosed
US-20210315893-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF FIBROSIS GILEAD SCIENCES, INC. 2021-10-14 — — US disclosed
CN-110869359-A Novel compounds and pharmaceutical compositions thereof for the treatment of fibrosis 加拉帕戈斯股份有限公司 2020-03-06 — — CN 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 (1 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-20210315893-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF FIBROSIS S1PR1, S1PR3, S1PR2 FGFR2 501/4885NOS1 839/4885TSHR 588/4885

“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.

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