SCHEMBL7278970

SCHEMBL7278970

Cn1nc(C2CCCCC2)cc1N

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.53
LMNA P02545 1/20 0.53
TP53 P04637 1/20 0.53
PKM P14618 1/20 0.53
RAB9A P51151 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
HRH4 Q9H3N8 14/20 0.45
PSMB8 P28062 1/20 0.41
PSMB9 P28065 1/20 0.41
PSMB5 P28074 1/20 0.41
HRH3 Q9Y5N1 1/20 0.39
PARP1 P09874 1/20 0.35
MPO P05164 2/20 0.34

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
SCHEMBL4432408 0.98 NPC1 (0.54) NPC1LMNATP53PKMRAB9A
SCHEMBL5223113 0.94 NPC1 (0.50) NPC1LMNATP53PKMRAB9A
SCHEMBL574082 0.90 NPC1 (0.45) NPC1LMNATP53PKMRAB9A
SCHEMBL21847667 0.82 LRRK2 (0.40) NPC1LMNATP53PKMRAB9A
SCHEMBL29249598 0.79 PSMB8 (0.42) NPC1LMNATP53PKMRAB9A
SCHEMBL28842193 0.79 PSMB8 (0.42) NPC1LMNATP53PKMRAB9A
SCHEMBL9386057 0.78 PSMB8 (0.41) NPC1LMNATP53PKMRAB9A
SCHEMBL3939169 0.77 NPC1 (0.56) NPC1LMNATP53PKMRAB9A
SCHEMBL26847648 0.77 HRH4 (0.41) NPC1LMNATP53PKMRAB9A
SCHEMBL24483396 0.76 NPC1 (0.51) NPC1LMNATP53PKMRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11312722-B2 Hsp90 inhibitors and uses thereof TRUSTEES OF BOSTON UNIVERSITY (US) 2022-04-26 US disclosed
US-11136311-B2 Heteroaromatic derivatives as NIK inhibitors JANSSEN PHARMACEUTICA NV (BE) 2021-10-05 US disclosed
US-20200354373-A1 HSP90 INHIBITORS AND USES THEREOF TRUSTEES OF BOSTON UNIVERSITY (US) 2020-11-12 US disclosed
EP-3478675-B1 HETEROAROMATIC DERIVATIVES AS NIK INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2020-04-22 EP disclosed
EP-0114273-B1 NEW PHARMACOLOGICALLY ACTIVE PYRAZOLOPYRIDINES GRUPPO LEPETIT S.p.A. (IT) 1991-11-06 EP disclosed
US-4954508-A HYPOTENSIVE GRUPPO LEPETIT S.P.A. (IT) 1990-09-04 US disclosed
EP-0114273-A1 New pharmacologically active pyrazolopyridines GRUPPO LEPETIT S.p.A. (IT) 1984-08-01 EP 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-20200354373-A1 HSP90 INHIBITORS AND USES THEREOF HSP90AB1, HSP90B1, HSP90AA1 NPC1 2456/4885LMNA 4606/4885TP53 763/4885
US-11136311-B2 Heteroaromatic derivatives as NIK inhibitors NFKBIA, IKBKG, IKBKE NPC1 1362/4885LMNA 3126/4885TP53 690/4885
US-11312722-B2 Hsp90 inhibitors and uses thereof HSP90AB1, HSP90B1, HSP90AA1 NPC1 2456/4885LMNA 4606/4885TP53 763/4885

“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.