SCHEMBL801459

SCHEMBL801459

CC(C)C1=NCc2ccncc21

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RPS6KA3 P51812 1/20 0.37
SIGMAR1 Q99720 1/20 0.35
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
CHRNB2 P17787 2/20 0.33
CHRNA4 P43681 2/20 0.33
CDC25B P30305 1/20 0.32
TP53 P04637 1/20 0.30
CYP3A4 P08684 1/20 0.30
MAPT P10636 1/20 0.30
TSHR P16473 1/20 0.30
MAPK1 P28482 1/20 0.30
CASP1 P29466 1/20 0.30
BLM P54132 1/20 0.30
CASP7 P55210 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL16369419 0.85 SIGMAR1 (0.35) RPS6KA3SIGMAR1MAOAMAOBCHRNB2
SCHEMBL19901466 0.77 MAOA (0.42) RPS6KA3MAOAMAOBCDC25BTP53
SCHEMBL19901471 0.77 MAOA (0.42) RPS6KA3MAOAMAOBCDC25BTP53
SCHEMBL12902152 0.75 TSHR (0.48) MAOACYP3A4TSHR
SCHEMBL25493356 0.70 HTR3A (0.41)
SCHEMBL12303080 0.70 HTR5A (0.41) MAOAMAOB
SCHEMBL13244503 0.67 LMNA (0.42) MAOAMAOBCHRNB2CHRNA4SMN1; SMN2
SCHEMBL801424 0.67
SCHEMBL30322659 0.64 SIGMAR1 (0.48) RPS6KA3SIGMAR1MAOAMAOBCHRNB2
SCHEMBL9271489 0.64 SIGMAR1 (0.48) RPS6KA3SIGMAR1MAOAMAOBCHRNB2

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-20230364086-A1 COMBINATION THERAPIES WITH EHMT2 INHIBITORS Epizyme, Inc. 2023-11-16 US disclosed
US-20230250088-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY NOVARTIS PHARMA AG (CH) 2023-08-10 US disclosed
US-20230250060-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY NOVARTIS PHARMA AG (CH) 2023-08-10 US disclosed
US-11672800-B2 Combination therapies with EHMT2 inhibitors Epizyme, Inc. (US) 2023-06-13 US disclosed
US-8633210-B2 Triazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-01-21 US disclosed
US-20120071657-A1 TRIAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-03-22 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 (5 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-20230364086-A1 COMBINATION THERAPIES WITH EHMT2 INHIBITORS EHMT2, BHMT, SHMT2 RPS6KA3 3098/4885SIGMAR1 3983/4885MAOA 1603/4885
US-20120071657-A1 TRIAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS GSK3B, GSK3A, CDK19 RPS6KA3 188/4885SIGMAR1 4105/4885MAOA 2192/4885
US-20230250060-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY STING1, CGAS, IRF3 RPS6KA3 2851/4885SIGMAR1 3467/4885MAOA 3209/4885
US-20230250088-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY STING1, CGAS, IRF3 RPS6KA3 2735/4885SIGMAR1 3441/4885MAOA 3218/4885
US-11672800-B2 Combination therapies with EHMT2 inhibitors EHMT2, BHMT, SHMT2 RPS6KA3 3098/4885SIGMAR1 3983/4885MAOA 1603/4885

“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.