SCHEMBL16982846

SCHEMBL16982846

S=C(Nc1ccccc1-c1ccc(-c2ccccn2)nc1)NC1CCCCC1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 1/20 0.56
▸ ALDH1A1 P00352 5/20 0.54
▸ SMN1; SMN2 Q16637 4/20 0.54
▸ HTT P42858 1/20 0.52
▸ RAB9A P51151 2/20 0.49
▸ KDM4E B2RXH2 1/20 0.49
▸ MEN1 O00255 1/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ LMNA P02545 4/20 0.48
▸ ALOX12 P18054 2/20 0.48
▸ NPSR1 Q6W5P4 1/20 0.48
▸ GAA P10253 1/20 0.47
▸ NPC1 O15118 1/20 0.46
▸ PKM P14618 1/20 0.45

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
SCHEMBL16982851 0.87 KMT2A (0.56) SMN1; SMN2HTTRAB9AKDM4EMEN1
SCHEMBL31224439 0.87 KMT2A (0.56) SMN1; SMN2HTTRAB9AKDM4EMEN1
SCHEMBL29450605 0.80 ALDH1A1 (0.64) MAPTALDH1A1SMN1; SMN2HTTRAB9A
SCHEMBL29450606 0.74 KMT2A (0.65) MAPTALDH1A1SMN1; SMN2HTTRAB9A
SCHEMBL9426325 0.72 MAPT (0.60) MAPTALDH1A1SMN1; SMN2HTTRAB9A
SCHEMBL18354581 0.70 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2RAB9AKDM4ENPC1
SCHEMBL14082162 0.66 GRM5 (0.57) ALDH1A1SMN1; SMN2RAB9AKDM4EMEN1
SCHEMBL29450637 0.66 POLB (0.64) ALDH1A1SMN1; SMN2HTTRAB9AKDM4E
SCHEMBL12925598 0.66 KDM4E (0.52) ALDH1A1SMN1; SMN2HTTRAB9AKDM4E
SCHEMBL28785613 0.66 HPGDS (0.58) MAPTALDH1A1SMN1; SMN2HTTRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10280142-B2 Bipyridyl compound JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2019-05-07 — — US claimed
US-20180072672-A1 BIPYRIDYL COMPOUND JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2018-03-15 — — US claimed
US-10280142-B2 Bipyridyl compound JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2019-05-07 — — US disclosed
US-10280142-B2 Bipyridyl compound JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2019-05-07 — — US disclosed
EP-3101004-B1 BIPYRIDYL COMPOUND JAPAN SCIENCE & TECH AGENCY (JP) 2018-12-05 — — EP disclosed
US-20180072672-A1 BIPYRIDYL COMPOUND JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2018-03-15 — — US disclosed
US-20180072672-A1 BIPYRIDYL COMPOUND JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2018-03-15 — — US disclosed
US-20180072672-A1 BIPYRIDYL COMPOUND JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2018-03-15 — — US disclosed
US-9908852-B2 Bipyridyl compound JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2018-03-06 — — US disclosed
US-9908852-B2 Bipyridyl compound JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2018-03-06 — — US disclosed
US-9908852-B2 Bipyridyl compound JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2018-03-06 — — US disclosed
US-20170001960-A1 BIPYRIDYL COMPOUND JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2017-01-05 — — US disclosed
US-20170001960-A1 BIPYRIDYL COMPOUND JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2017-01-05 — — US disclosed
US-20170001960-A1 BIPYRIDYL COMPOUND JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2017-01-05 — — US disclosed
EP-3101004-A1 BIPYRIDYL COMPOUND Japan Science and Technology Agency (JP) 2016-12-07 — — EP disclosed
WO-2015115519-A1 BIPYRIDYL COMPOUND 独立行政法人科学技術振興機構 2015-08-06 — — 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-20170001960-A1 BIPYRIDYL COMPOUND CBR1, NR0B2, ERBB2 MAPT 4692/4885ALDH1A1 1501/4885SMN1; SMN2 3447/4885
US-20180072672-A1 BIPYRIDYL COMPOUND CBR1, NR0B2, ERBB2 MAPT 4692/4885ALDH1A1 1501/4885SMN1; SMN2 3447/4885
US-10280142-B2 Bipyridyl compound CBR1, NR0B2, ERBB2 MAPT 4692/4885ALDH1A1 1501/4885SMN1; SMN2 3447/4885

“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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