SCHEMBL20860303

SCHEMBL20860303

C=Nc1ccc(N)cc1NC

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 4/20 0.37
▸ HTR6 P50406 4/20 0.36
▸ GRIN2D O15399 2/20 0.34
▸ GRIN3B O60391 2/20 0.34
▸ GRIN1 Q05586 2/20 0.34
▸ GRIN2A Q12879 2/20 0.34
▸ GRIN2B Q13224 2/20 0.34
▸ GRIN2C Q14957 2/20 0.34
▸ GRIN3A Q8TCU5 2/20 0.34
▸ ALDH1A1 P00352 3/20 0.32
▸ TDP1 Q9NUW8 2/20 0.32
▸ HTT P42858 2/20 0.32
▸ GAA P10253 1/20 0.32
▸ ALOX15 P16050 1/20 0.32
▸ CASP1 P29466 1/20 0.31
▸ PRKCI P41743 1/20 0.31
▸ TP53 P04637 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ MAPK1 P28482 1/20 0.31

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
SCHEMBL18698222 0.84 SIGMAR1 (0.37) SIGMAR1HTR6GRIN2DGRIN3BGRIN1
SCHEMBL20931145 0.79 KDM4E (0.36) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL22791425 0.79 GAA (0.37) ALDH1A1HTTGAACYP3A4ADRA2A
SCHEMBL20860302 0.79 ADRA2A (0.32) TSHRADRA2A
SCHEMBL8033091 0.73 PRKCI (0.41) SIGMAR1HTR6ALDH1A1TDP1HTT
SCHEMBL21374130 0.73 LMNA (0.34) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL14679678 0.72 ALDH1A1 (0.52) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL20274108 0.72 KIF11 (0.43) ALDH1A1HTTGAAALOX15CYP3A4
SCHEMBL16543023 0.72 CASP1 (0.42) HTR6ALDH1A1TDP1HTTGAA
SCHEMBL30948595 0.72 TDP1 (0.48) SIGMAR1ALDH1A1TDP1HTTGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230025301-A1 Novel Heterocyclic Derivatives with Cardiomyocyte Proliferation Activity for Treatment of Heart Diseases TONGJI UNIVERSITY (CN) 2023-01-26 — — US disclosed
WO-2020120576-A1 p38α AUTOPHOSPHORYLATION INHIBITORS FUNDACIÓ INSTITUT DE RECERCA BIOMÈDICA (IRB BARCELONA) (ES) 2020-06-18 — — WO disclosed
EP-3461819-B1 INHIBITORS OF GLUTAMINYL CYCLASE PROBIODRUG AG (DE) 2020-05-27 — — EP disclosed
WO-2019063414-A1 INHIBITORS OF GLUTAMINYL CYCLASE PROBIODRUG AG (DE) 2019-04-04 — — WO disclosed
EP-3461819-A1 INHIBITORS OF GLUTAMINYL CYCLASE Probiodrug AG (DE) 2019-04-03 — — EP 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-20230025301-A1 Novel Heterocyclic Derivatives with Cardiomyocyte Proliferation Activity for Treatment of Heart Diseases TNNI3, TNNT2, MKI67 SIGMAR1 3412/4885HTR6 2698/4885GRIN2D 4677/4885

“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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