SCHEMBL21906323

SCHEMBL21906323

COc1nc(NC(C)C)ncc1-c1ccc(C(C)c2cn(C(=O)O)c3ncc(Cl)cc23)c(C)n1

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ IDH1 O75874 5/20 0.33
▸ CSNK2A2 P19784 1/20 0.32
▸ CSNK2B P67870 1/20 0.32
▸ CSNK2A1 P68400 1/20 0.32
▸ IDH2 P48735 1/20 0.31
▸ KCNH2 Q12809 1/20 0.31
▸ IRAK4 Q9NWZ3 1/20 0.30
▸ FGFR1 P11362 1/20 0.30
▸ TP53 P04637 1/20 0.30
▸ MDM2 Q00987 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
SCHEMBL21872990 0.91 AAK1 (0.32) IDH1IRAK4
SCHEMBL21906344 0.83 CSF1R (0.45) IDH1IRAK4
SCHEMBL21906297 0.82 CSF1R (0.43) IDH1IRAK4FGFR1
SCHEMBL21873077 0.77 IRAK4 (0.32) IDH1IRAK4
SCHEMBL21873001 0.75 CSF1R (0.44) IDH1IRAK4
SCHEMBL28339583 0.74 — —
SCHEMBL21873038 0.74 CSF1R (0.43) IRAK4FGFR1
SCHEMBL21873025 0.68 MAPK8 (0.33) IDH1CSNK2A1IRAK4
SCHEMBL21873024 0.65 CSF1R (0.44) IDH1
SCHEMBL21872975 0.65 CCNB2 (0.38) IRAK4

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
US-11180495-B2 Nitrogen heteroaryl derivative having CSF1R inhibitory activity, and preparation method therefor and application thereof ABBISKO THERAPEUTICS CO., LTD. (CN) 2021-11-23 — — US disclosed
CN-110461841-B Nitrogen heteroaryl derivative with CSF1R inhibitory activity, and preparation method and application thereof 上海和誉生物医药科技有限公司 2020-09-15 — — CN disclosed
US-20200140431-A1 NITROGEN HETEROARYL DERIVATIVE HAVING CSF1R INHIBITORY ACTIVITY, AND PREPARATION METHOD THEREFOR AND APPLICATION THEREOF ABBISKO THERAPEUTICS CO., LTD. (CN) 2020-05-07 — — US disclosed
CN-110461841-A A kind of azepine aryl derivatives, preparation method and application with CSF1R inhibitory activity ABBISKO THERAPEUTICS CO LTD 2019-11-15 — — 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 (2 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-20200140431-A1 NITROGEN HETEROARYL DERIVATIVE HAVING CSF1R INHIBITORY ACTIVITY, AND PREPARATION METHOD THEREFOR AND APPLICATION THEREOF CSF1R, CSF3R, FSHR IDH1 668/4885CSNK2A2 3654/4885CSNK2B 3359/4885
US-11180495-B2 Nitrogen heteroaryl derivative having CSF1R inhibitory activity, and preparation method therefor and application thereof CSF1R, CSF3R, FSHR IDH1 668/4885CSNK2A2 3654/4885CSNK2B 3359/4885

“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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