SCHEMBL16597356

SCHEMBL16597356

C=Cc1ccc(F)c2c(C(=O)OC)c[nH]c12

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ NR4A2 P43354 11/20 0.42
▸ JAK3 P52333 3/20 0.41
▸ CREBBP Q92793 1/20 0.38
▸ PIM1 P11309 1/20 0.38
▸ PIM3 Q86V86 1/20 0.38
▸ MAP2K1 Q02750 1/20 0.36
▸ ERN1 O75460 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ GUSB P08236 1/20 0.33

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
SCHEMBL16597349 0.84 NR4A2 (0.49) NR4A2JAK3CREBBPPIM1PIM3
SCHEMBL1274770 0.80 NR4A2 (0.56) NR4A2JAK3CREBBPMAP2K1KDM4E
SCHEMBL1275298 0.79 NR4A2 (0.57) NR4A2JAK3CREBBPMAP2K1LMNA
SCHEMBL16597348 0.79 NR4A2 (0.44) NR4A2JAK3CREBBPMAP2K1KDM4E
SCHEMBL16597457 0.78 NR4A2 (0.43) NR4A2JAK3CREBBPMAP2K1KDM4E
SCHEMBL16597467 0.75 PDK2 (0.45) NR4A2JAK3CREBBPPIM1PIM3
SCHEMBL15389101 0.70 NR4A2 (0.46) NR4A2JAK3CREBBPPIM1PIM3
SCHEMBL2035795 0.70 NR4A2 (0.68) NR4A2CREBBPMAP2K1MAPT
SCHEMBL31306166 0.70 CA12 (0.38) ERN1KDM4EALDH1A1LMNAMAPT
SCHEMBL1274766 0.69 NR4A2 (0.41) NR4A2JAK3CREBBPMAP2K1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105593211-B Indole and indazole derivatives 豪夫迈·罗氏有限公司 2021-07-27 — — CN disclosed
EP-3049391-B1 INDOLE AND INDAZOLE DERIVATIVES HOFFMANN LA ROCHE (CH) 2018-12-26 — — EP disclosed
US-9708259-B2 Indol and indazol derivatives HOFFMANN-LA ROCHE INC. (US) 2017-07-18 — — US disclosed
EP-3049391-A1 INDOL AND INDAZOL DERIVATIVES F. Hoffmann-La Roche AG (CH) 2016-08-03 — — EP disclosed
US-20160207885-A1 INDOL AND INDAZOL DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2016-07-21 — — US disclosed
WO-2015044072-A1 INDOL AND INDAZOL DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2015-04-02 — — 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 (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-20160207885-A1 INDOL AND INDAZOL DERIVATIVES CHRNA7, CHRM1, CHRNA3 NR4A2 135/4885JAK3 1514/4885CREBBP 3182/4885

“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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