SCHEMBL15040972

SCHEMBL15040972

Cc1cccc(-c2cn(-c3ccccc3)nn2)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 3/20 0.67
▸ CA1 P00915 2/20 0.67
▸ CA5A P35218 2/20 0.67
▸ CA5B Q9Y2D0 2/20 0.67
▸ KEAP1 Q14145 3/20 0.62
▸ NFE2L2 Q16236 3/20 0.62
▸ HSD17B1 P14061 2/20 0.56
▸ HSD17B2 P37059 2/20 0.56
▸ CA12 O43570 2/20 0.55
▸ CA9 Q16790 2/20 0.55
▸ PTGS2 P35354 2/20 0.54
▸ PTGS1 P23219 1/20 0.54
▸ CDC7 O00311 1/20 0.52
▸ FLT3 P36888 2/20 0.51
▸ ALDH1A1 P00352 2/20 0.51
▸ L3MBTL1 Q9Y468 2/20 0.51
▸ NPC1 O15118 2/20 0.51
▸ RAB9A P51151 2/20 0.51
▸ SMN1; SMN2 Q16637 2/20 0.51
▸ NFKB1 P19838 1/20 0.51

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
SCHEMBL14226896 0.92 KEAP1 (0.71) CA2CA1CA5ACA5BKEAP1
SCHEMBL16307343 0.91 CA2 (0.71) CA2CA1CA5ACA5BKEAP1
SCHEMBL31473217 0.91 CA2 (0.71) CA2CA1CA5ACA5BKEAP1
SCHEMBL1119554 0.83 PTGS2 (0.66) CA2CA1CA5ACA5BKEAP1
SCHEMBL31473222 0.82 KEAP1 (0.64) CA2CA1CA5ACA5BKEAP1
SCHEMBL12522541 0.82 FLT3 (0.73) CA2CA1CA5ACA5BKEAP1
SCHEMBL12420373 0.82 FLT3 (0.69) CA2CA1CA5ACA5BKEAP1
SCHEMBL31158277 0.82 FLT3 (0.58) CA2CA1CA5ACA5BKEAP1
SCHEMBL28148270 0.81 CA2 (0.57) CA2CA1CA5ACA5BKEAP1
Bromide SCHEMBL6256547 0.81 PTGS2 (0.64) CA2CA1CA5ACA5BKEAP1

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10403833-B2 Organic metal complexes MERCK PATENT GMBH (DE) 2019-09-03 — — US disclosed
EP-2856528-B1 METAL COMPLEXES COMPRISING CONDENSED HETEROAROMATIC RINGS MERCK PATENT GMBH (DE) 2019-07-03 — — EP disclosed
US-9879177-B2 Metal complexes comprising condensed heteroaromatic rings MERCK PATENT GMBH (DE) 2018-01-30 — — US disclosed
US-9879177-B2 Metal complexes comprising condensed heteroaromatic rings MERCK PATENT GMBH (DE) 2018-01-30 — — US disclosed
US-20170317298-A1 ORGANIC METAL COMPLEXES UDC IRELAND LIMITED (IE) 2017-11-02 — — US disclosed
US-20170317298-A1 ORGANIC METAL COMPLEXES UDC IRELAND LIMITED (IE) 2017-11-02 — — US disclosed
US-9748502-B2 Organic metal complexes MERCK PATENT GMBH (DE) 2017-08-29 — — US disclosed
US-9748502-B2 Organic metal complexes MERCK PATENT GMBH (DE) 2017-08-29 — — US disclosed
EP-2791275-B1 ORGANIC SENSITIZERS FOR UP-CONVERSION MERCK PATENT GMBH (DE) 2017-05-31 — — EP disclosed
EP-2797940-B1 METAL COMPLEXES COMPRISING 1,2,3-TRIAZOLES MERCK PATENT GMBH (DE) 2016-02-24 — — EP disclosed
US-20140371825-A1 ORGANIC METAL COMPLEXES UDC IRELAND LIMITED (IE) 2014-12-18 — — US disclosed
US-20140371825-A1 ORGANIC METAL COMPLEXES UDC IRELAND LIMITED (IE) 2014-12-18 — — US disclosed
US-20140358198-A1 ORGANIC SENSITIZERS FOR UP-CONVERSION MERCK PATENT GMBH (DE) 2014-12-04 — — US disclosed
US-20140358198-A1 ORGANIC SENSITIZERS FOR UP-CONVERSION MERCK PATENT GMBH (DE) 2014-12-04 — — US disclosed
US-20140350642-A1 Metal Complexes Comprising 1,2,3-Triazoles MERCK PATENT GMBH (DE) 2014-11-27 — — US disclosed
US-20140350642-A1 Metal Complexes Comprising 1,2,3-Triazoles MERCK PATENT GMBH (DE) 2014-11-27 — — US disclosed
WO-2013174471-A1 METAL COMPLEXES COMPRISING CONDENSED HETEROAROMATIC RINGS MERCK PATENT GMBH (DE) 2013-11-28 — — WO disclosed
WO-2013107487-A1 ORGANIC METAL COMPLEXES MERCK PATENT GMBH (DE) 2013-07-25 — — WO disclosed
WO-2013097920-A1 METAL COMPLEXES COMPRISING 1,2,3-TRIAZOLES MERCK PATENT GMBH (DE) 2013-07-04 — — WO disclosed
WO-2013087162-A1 ORGANIC SENSITIZERS FOR UP-CONVERSION MERCK PATENT GMBH (DE) 2013-06-20 — — 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-10403833-B2 Organic metal complexes SOD1, ORC3, PPIA CA2 1041/4885CA1 1275/4885CA5A 614/4885

“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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