SCHEMBL3347513

SCHEMBL3347513

COc1cccc(CC2CCCCN2)c1

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.60
EED O75530 2/20 0.58
ALDH1A1 P00352 1/20 0.52
SLC6A4 P31645 2/20 0.49
SLC6A2 P23975 1/20 0.49
SLC6A3 Q01959 1/20 0.49
LTA4H P09960 5/20 0.46
CHRM4 P08173 2/20 0.46
DRD2 P14416 2/20 0.46
HTR7 P34969 2/20 0.46
HTR1A P08908 1/20 0.45
LMNA P02545 1/20 0.45
PKM P14618 1/20 0.45
HTT P42858 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
SCHEMBL29557686 1.00 POLB (0.60) POLBEEDALDH1A1SLC6A4SLC6A2
SCHEMBL11485377 0.99 POLB (0.59) POLBEEDALDH1A1SLC6A4SLC6A2
SCHEMBL30475090 0.99 POLB (0.59) POLBEEDALDH1A1SLC6A4SLC6A2
SCHEMBL3154073 0.96 EED (0.63) POLBEEDALDH1A1SLC6A4CHRM4
Hydrochloric Acid SCHEMBL3637005 0.94 EED (0.61) POLBEEDALDH1A1CHRM4DRD2
SCHEMBL23477702 0.84 POLB (0.52) POLBEEDLTA4H
SCHEMBL31463654 0.84 POLB (0.52) POLBEEDLTA4H
SCHEMBL26754469 0.82 POLB (0.64) POLBLTA4H
SCHEMBL18019872 0.82 POLB (0.63) POLBALDH1A1SLC6A4SLC6A2SLC6A3
SCHEMBL20109499 0.82 POLB (0.63) POLBALDH1A1SLC6A4SLC6A2SLC6A3

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
CN-114315796-B Compounds used as HPK1 kinase inhibitor, preparation method and application thereof 中国药科大学 2024-03-26 CN disclosed
CN-114315796-A Compound used as HPK1 kinase inhibitor and preparation method and application thereof 中国药科大学 2022-04-12 CN disclosed
US-11180482-B2 Anilinopyrimidines as haematopoietic progenitor kinase 1 (HPK1) inhibitors ARIAD PHARMACEUTICALS, INC. (US) 2021-11-23 US disclosed
WO-2018102366-A1 ANILINOPYRIMIDINES AS HAEMATOPOIETIC PROGENITOR KINASE 1 (HPK1) INHIBITORS ARIAD PHARMACEUTICALS, INC. (US) 2018-06-07 WO disclosed
US-8357711-B2 Heterocyclic sulfonamides as inhibitors of ion channels PFIZER LIMITED (GB) 2013-01-22 US disclosed
WO-2010067233-A1 1,2,4 TRIAZOLO [4, 3 -A] [1,5] BENZODIAZEPIN-5 (6H) -ONES AS AGONISTS OF THE CHOLECYSTOKININ-1 RECEPTOR (CCK-IR) PFIZER INC. (US) 2010-06-17 WO disclosed
US-20090143358-A1 INHIBITORS OF ION CHANNELS ICAGEN, INC. (US) 2009-06-04 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 (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-20090143358-A1 INHIBITORS OF ION CHANNELS TRPV1, TRPV5, TRPA1 POLB 4435/4885EED 3109/4885ALDH1A1 3113/4885
US-11180482-B2 Anilinopyrimidines as haematopoietic progenitor kinase 1 (HPK1) inhibitors STK16, STK4, STK26 POLB 2398/4885EED 2393/4885ALDH1A1 3649/4885

“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.