SCHEMBL21393834

SCHEMBL21393834

COC1CCCN(c2nc(Cl)nc(N3CC4CCC(C3)O4)n2)C1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.37
MAP4K4 O95819 1/20 0.37
CCR4 P51679 1/20 0.35
CHRM3 P20309 1/20 0.34
PDE4A P27815 1/20 0.34
PDE4B Q07343 1/20 0.34
PDE4C Q08493 1/20 0.34
PDE4D Q08499 1/20 0.34
MAPT P10636 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
ACACB O00763 2/20 0.33
MAOB P27338 1/20 0.33
HTR6 P50406 1/20 0.33
PIK3CA P42336 4/20 0.32
PIK3R1 P27986 1/20 0.32
MTOR P42345 3/20 0.32
MEN1 O00255 1/20 0.32
HTT P42858 1/20 0.32
RECQL P46063 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL24962797 0.87 HRH3 (0.37) HRH3MAP4K4CCR4CHRM3PDE4A
SCHEMBL1408609 0.82 PIK3CA (0.39) PIK3CAMTORMEN1HTTRECQL
SCHEMBL1409259 0.81 SMN1; SMN2 (0.41) PIK3CAMTORMEN1HTTRECQL
SCHEMBL1409342 0.80 MTOR (0.42) MAPTL3MBTL1PIK3CAPIK3R1MTOR
SCHEMBL1408669 0.77 MTOR (0.39) PIK3CAMTORRICTORRPTORMAPKAP1
SCHEMBL23227084 0.75 MTOR (0.40) PIK3CAMTORKMT2ARICTORRPTOR
SCHEMBL1409330 0.74 MTOR (0.51) MAPTL3MBTL1PIK3CAMTORMEN1
SCHEMBL21393938 0.72 MTOR (0.75) PIK3CAPIK3R1MTORRICTORRPTOR
SCHEMBL1409277 0.71 MTOR (0.37) MAPTL3MBTL1ACACBPIK3CAPIK3R1
SCHEMBL20692855 0.68 MTOR (0.37) PIK3CAMTORRICTORRPTORMAPKAP1

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
US-20220135551-A1 TREATMENT OF NEUROLOGICAL DISORDERS PIQUR THERAPEUTICS AG (CH) 2022-05-05 US disclosed
US-11186591-B2 Difluoromethyl-aminopyridines and difluoromethyl-aminopyrimidines UNIVERSITÄT BASEL (CH) 2021-11-30 US disclosed
US-20210361665-A1 TREATMENT OF SKIN LESIONS TORQUR AG (CH) 2021-11-25 US disclosed
US-10993947-B2 Treatment of skin lesions TORQUR (CH) 2021-05-04 US disclosed
US-20200277304-A1 DIFLUOROMETHYL-AMINOPYRIDINES AND DIFLUOROMETHYL-AMINOPYRIMIDINES TORQUR AG (CH) 2020-09-03 US disclosed
US-20190290653-A1 TREATMENT OF SKIN LESIONS TORQUR AG (CH) 2019-09-26 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 (6 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-20210361665-A1 TREATMENT OF SKIN LESIONS CXCR3, C3AR1, CCR3 HRH3 17/4885MAP4K4 2403/4885CCR4 55/4885
US-20220135551-A1 TREATMENT OF NEUROLOGICAL DISORDERS CHRM1, CHRM2, C1R HRH3 260/4885MAP4K4 3068/4885CCR4 370/4885
US-10993947-B2 Treatment of skin lesions CXCR3, CCR3, C3AR1 HRH3 13/4885MAP4K4 2685/4885CCR4 54/4885
US-20200277304-A1 DIFLUOROMETHYL-AMINOPYRIDINES AND DIFLUOROMETHYL-AMINOPYRIMIDINES PIK3CA, MTOR, PIKFYVE HRH3 1141/4885MAP4K4 197/4885CCR4 2987/4885
US-20190290653-A1 TREATMENT OF SKIN LESIONS CXCR3, CCR3, C3AR1 HRH3 13/4885MAP4K4 2685/4885CCR4 54/4885
US-11186591-B2 Difluoromethyl-aminopyridines and difluoromethyl-aminopyrimidines PIK3CA, MTOR, PIKFYVE HRH3 1141/4885MAP4K4 197/4885CCR4 2987/4885

“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.