SCHEMBL17681725

SCHEMBL17681725

O=C(O)Cc1c(Cl)cnc2[nH]ccc12

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ AXL P30530 2/20 0.44
▸ PRKCI P41743 2/20 0.44
▸ NOTUM Q6P988 1/20 0.43
▸ RHEB Q15382 1/20 0.42
▸ AKR1B1 P15121 1/20 0.42
▸ JAK2 O60674 3/20 0.40
▸ JAK1 P23458 3/20 0.40
▸ TYK2 P29597 3/20 0.40
▸ CCNK O75909 1/20 0.38
▸ CDK12 Q9NYV4 1/20 0.38
▸ PTGS2 P35354 1/20 0.37
▸ NUDT1 P36639 2/20 0.37
▸ JAK3 P52333 2/20 0.36
▸ CA2 P00918 1/20 0.35

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
SCHEMBL17681732 0.81 PRKCI (0.49) AXLPRKCINOTUMRHEBJAK2
SCHEMBL19463270 0.77 AKR1B1 (0.40) AKR1B1PTGS2JAK3CA2
SCHEMBL25258364 0.76 AXL (0.47) AXLPRKCINOTUMRHEBJAK2
SCHEMBL17681735 0.74 PRKCI (0.45) AXLPRKCIJAK2JAK1TYK2
SCHEMBL17671024 0.73 AKR1B1 (0.50) RHEBAKR1B1CA2
SCHEMBL29686671 0.73 AKR1B1 (0.50) RHEBAKR1B1CA2
SCHEMBL21121113 0.73 AXL (0.41) AXLPRKCINOTUMJAK2JAK1
SCHEMBL17681733 0.71 AXL (0.43) AXLPRKCIJAK2JAK1TYK2
SCHEMBL1356886 0.71 PRKCI (0.67) AXLPRKCIRHEBJAK2JAK1
SCHEMBL20862242 0.71 PRKCI (0.45) AXLPRKCIJAK2JAK1TYK2

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-3204359-B1 TETRAHYDROISOQUINOLINE DERIVATIVES UCB Biopharma SRL (BE) 2020-07-01 — — EP disclosed
EP-3204374-B1 ISOINDOLINE DERIVATIVES UCB BIOPHARMA SPRL (BE) 2019-04-03 — — EP disclosed
US-9975873-B2 Isoindoline derivatives UCB BIOPHARMA SPRL (BE) 2018-05-22 — — US disclosed
US-9975873-B2 Isoindoline derivatives UCB BIOPHARMA SPRL (BE) 2018-05-22 — — US disclosed
US-20170313677-A1 Isoindoline Derivatives UCB BIOPHARMA SPRL (BE) 2017-11-02 — — US disclosed
US-20170313677-A1 Isoindoline Derivatives UCB BIOPHARMA SPRL (BE) 2017-11-02 — — US disclosed
US-20170304292-A1 Tetrahydroisoquinoline Derivatives UCB BIOPHARMA SPRL (BE) 2017-10-26 — — US disclosed
US-20170304292-A1 Tetrahydroisoquinoline Derivatives UCB BIOPHARMA SPRL (BE) 2017-10-26 — — US disclosed
WO-2016055479-A1 TETRAHYDROISOQUINOLINE DERIVATIVES UCB BIOPHARMA SPRL (BE) 2016-04-14 — — WO disclosed
WO-2016055482-A1 ISOINDOLINE DERIVATIVES UCB BIOPHARMA SPRL (BE) 2016-04-14 — — 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 (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-20170313677-A1 Isoindoline Derivatives OPRD1, ADRA1D, DRD2 AXL 3348/4885PRKCI 1243/4885NOTUM 4576/4885
US-20170304292-A1 Tetrahydroisoquinoline Derivatives OPRD1, ADRA1D, GPR52 AXL 2759/4885PRKCI 1550/4885NOTUM 4418/4885

“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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