SCHEMBL21114754

SCHEMBL21114754

c1ncc2nc(N3CCOCC3)sc2n1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 8/20 0.50
RAB9A P51151 7/20 0.50
NPC1 O15118 5/20 0.50
MAPT P10636 4/20 0.47
TP53 P04637 2/20 0.47
USP2 O75604 1/20 0.47
PKM P14618 1/20 0.47
AR P10275 5/20 0.46
GAA P10253 2/20 0.46
ALOX15 P16050 2/20 0.46
HPGD P15428 2/20 0.46
TSHR P16473 2/20 0.46
ALDH1A1 P00352 1/20 0.46
HSD17B10 Q99714 1/20 0.46
HTT P42858 2/20 0.39
PIK3CD O00329 2/20 0.38
PIK3CA P42336 2/20 0.38
PIK3CB P42338 2/20 0.38
PIK3CG P48736 1/20 0.38

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
SCHEMBL795484 0.82 SCN4A (0.40) HPGDTSHRALDH1A1HSD17B10
SCHEMBL21162585 0.78 SMN1; SMN2 (0.49) SMN1; SMN2RAB9ANPC1MAPTTP53
SCHEMBL24329826 0.77 RAB9A (0.50) SMN1; SMN2RAB9ANPC1MAPTTP53
SCHEMBL21114860 0.76 SMN1; SMN2 (0.61) SMN1; SMN2RAB9ANPC1MAPTTP53
SCHEMBL24359039 0.76 SMN1; SMN2 (0.50) SMN1; SMN2RAB9ANPC1MAPTTP53
SCHEMBL30681219 0.76 SMN1; SMN2 (0.61) SMN1; SMN2RAB9ANPC1MAPTTP53
SCHEMBL24359019 0.73 SMN1; SMN2 (0.66) SMN1; SMN2RAB9ANPC1MAPTTP53
SCHEMBL4164230 0.70 TBK1 (0.45) SMN1; SMN2MAPTGAAHPGDTSHR
SCHEMBL24359018 0.70 RAB9A (0.66) SMN1; SMN2RAB9ANPC1MAPTTP53
SCHEMBL21588424 0.70 NPC1 (0.54) SMN1; SMN2RAB9ANPC1MAPTTP53

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
EP-3735411-B1 1,3,4,5-TETRAHYDRO-2H-PYRIDO[4,3-B]INDOLE DERIVATIVES FOR THE TREATMENT, ALLEVIATION OR PREVENTION OF DISORDERS ASSOCIATED WITH TAU AGGREGATES LIKE ALZHEIMER`S DISEASE AC IMMUNE SA (CH) 2024-07-10 EP disclosed
US-11814378-B2 Compounds for the treatment, alleviation or prevention of disorders associated with Tau aggregates AC IMMUNE SA (CH) 2023-11-14 US disclosed
US-20220127263-A1 Novel Compounds for the Treatment, Alleviation or Prevention of Disorders Associated with Tau Aggregates AC IMMUNE SA (CH) 2022-04-28 US disclosed
US-20200148679-A1 Novel compounds for the treatment, alleviation or prevention of disorders associated with Tau aggregates AC IMMUNE SA (CH) 2020-05-14 US disclosed
US-10633383-B2 Compounds for the treatment, alleviation or prevention of disorders associated with Tau aggregates AC IMMUNE SA (CH) 2020-04-28 US disclosed
US-20190211012-A1 Novel compounds for the treatment, alleviation or prevention of disorders associated with Tau aggregates AC IMMUNE SA (CH) 2019-07-11 US 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 (5 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-20190211012-A1 Novel compounds for the treatment, alleviation or prevention of disorders associated with Tau aggregates MAPT, MAP1LC3A, MAP1LC3B SMN1; SMN2 445/4885RAB9A 1905/4885NPC1 290/4885
US-20220127263-A1 Novel Compounds for the Treatment, Alleviation or Prevention of Disorders Associated with Tau Aggregates MAPT, MAP1LC3A, MAP1LC3B SMN1; SMN2 445/4885RAB9A 1905/4885NPC1 290/4885
US-10633383-B2 Compounds for the treatment, alleviation or prevention of disorders associated with Tau aggregates MAPT, MAP1LC3A, TUBB3 SMN1; SMN2 479/4885RAB9A 2189/4885NPC1 325/4885
US-20200148679-A1 Novel compounds for the treatment, alleviation or prevention of disorders associated with Tau aggregates MAPT, MAP1LC3A, MAP1LC3B SMN1; SMN2 445/4885RAB9A 1905/4885NPC1 290/4885
US-11814378-B2 Compounds for the treatment, alleviation or prevention of disorders associated with Tau aggregates MAPT, MAP1LC3A, TUBB3 SMN1; SMN2 479/4885RAB9A 2189/4885NPC1 325/4885

“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.