SCHEMBL18300430

SCHEMBL18300430

CO/N=C(\N)c1ccc(CN=[N+]=[N-])nc1

nearest known ligand 0.32

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.32
▸ GAA P10253 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ F10 P00742 1/20 0.32
▸ RAB9A P51151 2/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ NNMT P40261 1/20 0.31

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
SCHEMBL18300431 1.00 MAPT (0.32) MAPTGAAKMT2AL3MBTL1F10
SCHEMBL14471373 0.83 GAA (0.36) MAPTGAAL3MBTL1RAB9ANPC1
SCHEMBL18300262 0.80 MAPT (0.36) MAPTGAAKMT2AL3MBTL1F10
SCHEMBL18300263 0.80 MAPT (0.36) MAPTGAAKMT2AL3MBTL1F10
SCHEMBL18300661 0.79 F10 (0.37) MAPTGAAKMT2AL3MBTL1F10
SCHEMBL18300660 0.79 F10 (0.37) MAPTGAAKMT2AL3MBTL1F10
SCHEMBL29413990 0.79 NNMT (0.46) L3MBTL1NNMT
SCHEMBL15299575 0.78 MAPK1 (0.50) MAPTKMT2AL3MBTL1RAB9ANPC1
SCHEMBL16688436 0.77 HDAC3 (0.38) MAPTGAAKMT2AL3MBTL1RAB9A
SCHEMBL15285101 0.74 P4HA1 (0.46) MAPTL3MBTL1

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
US-10144746-B2 Bridged bicyclic kallikrein inhibitors GLOBAL BLOOD THERAPEUTICS, INC. (US) 2018-12-04 — — US disclosed
US-20180194780-A1 BRIDGED BICYCLIC KALLIKREIN INHIBITORS GLOBAL BLOOD THERAPEUTICS, INC. 2018-07-12 — — US disclosed
US-9815853-B2 Bridged bicyclic kallikrein inhibitors GLOBAL BLOOD THERAPEUTICS, INC. (US) 2017-11-14 — — US disclosed
US-20160362427-A1 BRIDGED BICYCLIC KALLIKREIN INHIBITORS GLOBAL BLOOD THERAPEUTICS, INC. 2016-12-15 — — US disclosed
WO-2016201052-A1 BRIDGED BICYCLIC KALLIKREIN INHIBITORS GLOBAL BLOOD THERAPEUTICS, INC. (US) 2016-12-15 — — 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 (3 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-10144746-B2 Bridged bicyclic kallikrein inhibitors KLKB1, KLK1, KLK2 MAPT 2685/4885GAA 1733/4885KMT2A 1323/4885
US-20160362427-A1 BRIDGED BICYCLIC KALLIKREIN INHIBITORS KLKB1, KLK1, KLK2 MAPT 2685/4885GAA 1733/4885KMT2A 1323/4885
US-20180194780-A1 BRIDGED BICYCLIC KALLIKREIN INHIBITORS KLKB1, KLK1, KLK2 MAPT 2685/4885GAA 1733/4885KMT2A 1323/4885

“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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