SCHEMBL21174134

SCHEMBL21174134

c1cc2nc(C3CCCC3)[nH]c2cn1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.55
RAB9A P51151 2/20 0.55
KDM4E B2RXH2 3/20 0.54
MAPT P10636 1/20 0.54
GFER P55789 1/20 0.54
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
ALDH1A1 P00352 3/20 0.43
PKM P14618 2/20 0.43
HPGD P15428 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
RPS6KA5 O75582 1/20 0.42
METAP2 P50579 1/20 0.42
METAP1 P53582 1/20 0.42
MAPK13 O15264 1/20 0.42
RAF1 P04049 1/20 0.42
MAPK9 P45984 1/20 0.42
MAPK12 P53778 1/20 0.42
MAPK11 Q15759 1/20 0.42
MAPK14 Q16539 1/20 0.42

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
SCHEMBL25881418 0.98 NPC1 (0.57) NPC1RAB9AKDM4EMAPTGFER
SCHEMBL3706701 0.87 PARP1 (0.49) NPC1RAB9AKDM4EMAPTGFER
Hydrochloric Acid SCHEMBL3705755 0.86 PARP1 (0.48) NPC1RAB9AKDM4EMAPTGFER
SCHEMBL15767650 0.83 NPC1 (0.48) NPC1RAB9AKDM4EMAPTGFER
SCHEMBL17888854 0.79 AKT1 (0.50) ALDH1A1MAPK11MAPK14AKT1AKT2
SCHEMBL6756134 0.77 NPC1 (0.59) NPC1RAB9AKDM4EMAPTGFER
SCHEMBL12763079 0.77 AAK1 (0.65) NPC1RAB9AKDM4EMAPTGFER
SCHEMBL6757201 0.76 NPC1 (0.62) NPC1RAB9AKDM4EMAPTGFER
SCHEMBL724921 0.76 NPC1 (0.62) NPC1RAB9AKDM4EMAPTGFER
SCHEMBL14447536 0.74 PARP1 (0.46) NPC1RAB9AKDM4EMAPTGFER

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3514149-B1 HETEROCYCLIC AMIDE COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2022-05-18 EP disclosed
US-10774083-B2 Heterocyclic amide compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2020-09-15 US disclosed
US-20190241566-A1 HETEROCYCLIC AMIDE COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2019-08-08 US disclosed
EP-3514149-A1 HETEROCYCLIC AMIDE COMPOUND Takeda Pharmaceutical Company Limited (JP) 2019-07-24 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 (2 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-20190241566-A1 HETEROCYCLIC AMIDE COMPOUND PRSS8, PRSS1, PRSS2 NPC1 1953/4885RAB9A 469/4885KDM4E 4023/4885
US-10774083-B2 Heterocyclic amide compound PRSS8, PRSS1, PRSS2 NPC1 1953/4885RAB9A 469/4885KDM4E 4023/4885

“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.