SCHEMBL20798393

SCHEMBL20798393

CC1CN(c2cnc(Cl)nc2Cl)CCN1C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PIK3CD O00329 3/20 0.39
▸ SLC6A7 Q99884 2/20 0.39
▸ HCRTR2 O43614 3/20 0.39
▸ GRM1 Q13255 5/20 0.37
▸ CHRM4 P08173 3/20 0.37
▸ CHRM1 P11229 2/20 0.37
▸ ROCK2 O75116 1/20 0.36
▸ PRKG1 Q13976 1/20 0.36
▸ SMO Q99835 1/20 0.35
▸ CHRM2 P08172 1/20 0.35

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
SCHEMBL20798392 1.00 PIK3CD (0.39) PIK3CDSLC6A7HCRTR2GRM1CHRM4
SCHEMBL17236136 0.84 MAP4K4 (0.51) PIK3CDSLC6A7HCRTR2GRM1
SCHEMBL17224999 0.84 MAP4K4 (0.51) PIK3CDSLC6A7HCRTR2GRM1
SCHEMBL17224998 0.84 MAP4K4 (0.51) PIK3CDSLC6A7HCRTR2GRM1
SCHEMBL23235680 0.80 SMN1; SMN2 (0.54) PIK3CDSLC6A7HCRTR2GRM1CHRM4
SCHEMBL17225022 0.79 SMN1; SMN2 (0.34) HCRTR2
SCHEMBL23235686 0.77 GRM1 (0.47) SLC6A7GRM1
SCHEMBL29241190 0.77 GRM1 (0.47) SLC6A7GRM1
SCHEMBL22156989 0.76 KCNH2 (0.49) PIK3CDHCRTR2CHRM4ROCK2PRKG1
SCHEMBL27176714 0.76 KCNH2 (0.49) PIK3CDHCRTR2CHRM4ROCK2PRKG1

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-3679030-B1 A PROCESS FOR PREPARATION OF TRIAMINOPYRIMIDINE COMPOUND AND INTERMEDIATES THEREOF ZYDUS LIFESCIENCES LTD (IN) 2024-03-27 — — EP disclosed
EP-3679030-A1 A PROCESS FOR PREPARATION OF TRIAMINOPYRIMIDINE COMPOUND AND INTERMEDIATES THEREOF Cadila Healthcare Limited (IN) 2020-07-15 — — EP disclosed
US-20200207738-A1 A PROCESS FOR PREPARATION OF TRIAMINOPYRIMIDINE COMPOUND AND INTERMEDIATES THEREOF ZYDUS LIFESCIENCES LIMITED (IN) 2020-07-02 — — US disclosed
WO-2019049021-A1 A PROCESS FOR PREPARATION OF TRIAMINOPYRIMIDINE COMPOUND AND INTERMEDIATES THEREOF CADILA HEALTHCARE LIMITED (IN) 2019-03-14 — — 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 (1 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-20200207738-A1 A PROCESS FOR PREPARATION OF TRIAMINOPYRIMIDINE COMPOUND AND INTERMEDIATES THEREOF DPYD, SAMHD1, NUDT1 PIK3CD 1263/4885SLC6A7 1593/4885HCRTR2 4624/4885

“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.

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