SCHEMBL20064100

SCHEMBL20064100

N#Cc1ccnc(N2CCC(N)CC2)c1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.51
MALT1 Q9UDY8 1/20 0.49
CHEK1 O14757 1/20 0.47
KDR P35968 2/20 0.45
PAK4 O96013 1/20 0.45
PAK1 Q13153 1/20 0.45
USP30 Q70CQ3 1/20 0.45
PANK3 Q9H999 1/20 0.45
CHRM4 P08173 1/20 0.44
LCAT P04180 1/20 0.44
KDM1A O60341 1/20 0.44
HTR7 P34969 1/20 0.43
HCRTR1 O43613 3/20 0.42
HCRTR2 O43614 3/20 0.42
LRRK2 Q5S007 1/20 0.42
THRB P10828 1/20 0.41
KARS1 Q15046 1/20 0.41
DPP4 P27487 1/20 0.41

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
Hydrochloric Acid SCHEMBL3288531 0.98 HRH3 (0.50) HRH3MALT1CHEK1KDRPAK4
SCHEMBL20051578 0.91 USP30 (0.48) HRH3MALT1KDRUSP30CHRM4
SCHEMBL29614985 0.91 USP30 (0.48) HRH3MALT1KDRUSP30CHRM4
SCHEMBL15014494 0.85 HRH3 (0.54) HRH3MALT1USP30PANK3CHRM4
SCHEMBL20064025 0.84 HRH3 (0.42) HRH3MALT1USP30PANK3CHRM4
SCHEMBL19011701 0.84 HRH3 (0.56) HRH3MALT1USP30PANK3CHRM4
SCHEMBL20064451 0.82 PANK3 (0.49) HRH3MALT1USP30PANK3HTR7
SCHEMBL31472951 0.82 CNR2 (0.51) HRH3MALT1USP30PANK3CHRM4
SCHEMBL17371895 0.82 CNR2 (0.51) HRH3MALT1USP30PANK3CHRM4
SCHEMBL12424669 0.81 HRH3 (0.51) HRH3MALT1USP30PANK3CHRM4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11053234-B2 1,3 di-substituted cyclobutane or azetidine derivatives as hematopoietic prostaglandin D synthase inhibitors GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2021-07-06 US disclosed
US-20190241554-A1 1,3 DI-SUBSTITUTED CYCLOBUTANE OR AZETIDINE DERIVATIVES AS HEMATOPOIETIC PROSTAGLANDIN D SYNTHASE INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2019-08-08 US disclosed
WO-2018069863-A1 1,3 DI-SUBSTITUTED CYCLOBUTANE OR AZETIDINE DERIVATIVES AS HEMATOPOIETIC PROSTAGLANDIN D SYNTHASE INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2018-04-19 WO 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-11053234-B2 1,3 di-substituted cyclobutane or azetidine derivatives as hematopoietic prostaglandin D synthase inhibitors HPGDS, PTGDR, PTGER1 HRH3 596/4885MALT1 775/4885CHEK1 4231/4885
US-20190241554-A1 1,3 DI-SUBSTITUTED CYCLOBUTANE OR AZETIDINE DERIVATIVES AS HEMATOPOIETIC PROSTAGLANDIN D SYNTHASE INHIBITORS HPGDS, PTGDR, PTGER1 HRH3 596/4885MALT1 775/4885CHEK1 4231/4885

“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.