SCHEMBL2772556

SCHEMBL2772556

Clc1cc(N2CCCC2)nc(N2CCCC2)n1

nearest known ligand 0.61

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CASP1 P29466 9/20 0.61
▸ CASP5 P51878 9/20 0.61
▸ CASP4 P49662 7/20 0.61
▸ HRH4 Q9H3N8 1/20 0.51
▸ GBA1 P04062 3/20 0.46
▸ CYP1A2 P05177 2/20 0.46
▸ CYP2D6 P10635 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ KMT2A Q03164 1/20 0.43

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
SCHEMBL2771547 0.98 CASP1 (0.59) CASP1CASP5CASP4HRH4GBA1
SCHEMBL2773410 0.96 CASP1 (0.56) CASP1CASP5CASP4HRH4GBA1
Aethimidinum SCHEMBL29352989 0.92 CASP1 (0.50) CASP1CASP5CASP4HRH4GBA1
SCHEMBL9159902 0.90 CASP1 (0.81) CASP1CASP5CASP4HRH4CYP1A2
SCHEMBL9545737 0.90 CASP1 (0.81) CASP1CASP5CASP4HRH4CYP1A2
SCHEMBL1697668 0.87 CASP1 (0.48) CASP1CASP5CASP4HRH4CYP1A2
SCHEMBL24851307 0.87 CASP1 (0.49) CASP1CASP5CASP4HRH4GBA1
SCHEMBL19479135 0.86 CYP1A2 (0.62) CASP1CASP5CASP4HRH4CYP1A2
SCHEMBL15334687 0.85 SMN1; SMN2 (0.48) CASP1CASP5CASP4CYP1A2KMT2A
SCHEMBL29754406 0.85 CASP1 (0.80) CASP1CASP5CASP4HRH4GBA1

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 59 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5225555-A Processes for purification of 2,4-di(1-pyrrolidinyl)-6-chloropyrimidine THE UPJOHN COMPANY (US) 1993-07-06 — — US claimed
US-20100173910-A1 TRIAMINOPYRIMIDINE CYCLOBUTENEDIONE DERIVATIVES USED AS PHOSPHATASE CDC25 INHIBITORS IPDRN PHSTMS D.S.S. (FR) 2010-07-08 — — US disclosed
US-20100137275-A1 TRIAMINOPYRIMIDINE DERIVATIVES AS INHIBITORS OF CDC25 PHOSPHATASE IPSEN PHARMA S.A.S. (FR) 2010-06-03 — — US disclosed
EP-2178848-A1 TRI-AMINO-PYRIMIDINE CYCLOBUTENEDIONE DERIVATIVES USED AS PHOSPHATASE CDC25 INHIBITORS IPSEN PHARMA S.A.S. (FR) 2010-04-28 — — EP disclosed
EP-2152675-A1 TRIAMINOPYRIMIDINE DERIVATIVES AS INHIBITORS OF CDC25 PHOSPHATASE IPSEN PHARMA S.A.S. (FR) 2010-02-17 — — EP disclosed
US-7576241-B2 Derivatives of amidines, their preparation, their use as medicaments and the pharmaceutical compositions containing them IPSEN PHARMA S.A.S. (FR) 2009-08-18 — — US disclosed
US-7576241-B2 Derivatives of amidines, their preparation, their use as medicaments and the pharmaceutical compositions containing them IPSEN PHARMA S.A.S. (FR) 2009-08-18 — — US disclosed
US-7576241-B2 Derivatives of amidines, their preparation, their use as medicaments and the pharmaceutical compositions containing them IPSEN PHARMA S.A.S. (FR) 2009-08-18 — — US disclosed
WO-2009034258-A1 TRI-AMINO-PYRIMIDINE CYCLOBUTENEDIONE DERIVATIVES USED AS PHOSPHATASE CDC25 INHIBITORS IPSEN PHARMA S.A.S. (FR) 2009-03-19 — — WO disclosed
US-7473779-B2 Derivatives of amidines, their preparation, their use as medicaments and the pharmaceutical compositions containing them SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2009-01-06 — — US disclosed
US-4996318-A Amino-9,10-secosteroids useful for treating head injury, spinal cord trauma or stroke THE UPJOHN COMPANY (US) 1991-02-26 — — US disclosed
EP-0358676-A1 PHARMACEUTICALLY ACTIVE AMINES THE UPJOHN COMPANY (US) 1990-03-21 — — EP disclosed
EP-0354920-A1 AMINO-9,10-SECOSTEROIDS THE UPJOHN COMPANY (US) 1990-02-21 — — EP disclosed
EP-0293078-A1 Pharmaceutically active amines THE UPJOHN COMPANY (US) 1988-11-30 — — EP disclosed
WO-1988008424-A1 PHARMACEUTICALLY ACTIVE AMINES THE UPJOHN COMPANY (US) 1988-11-03 — — WO disclosed
WO-1988007527-A1 AMINO-9,10-SECOSTEROIDS THE UPJOHN COMPANY (US) 1988-10-06 — — WO disclosed
EP-0263213-A1 C20 Through C26 amino steroids THE UPJOHN COMPANY (US) 1988-04-13 — — EP disclosed
WO-1987007895-A1 ANDROSTANE-TYPE AND CORTICAL AMINOESTERS THE UPJOHN COMPANY (US) 1987-12-30 — — WO disclosed
EP-0238545-A1 C 20? THROUGH C 26? AMINO STEROIDS. UPJOHN CO (US) 1987-09-30 — — EP disclosed
WO-1987001706-A2 C20 THROUGH C26 AMINO STEROIDS THE UPJOHN COMPANY (US) 1987-03-26 — — 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-20100137275-A1 TRIAMINOPYRIMIDINE DERIVATIVES AS INHIBITORS OF CDC25 PHOSPHATASE CDC25A, CDC25B, CDC25C CASP1 3771/4885CASP5 1933/4885CASP4 3033/4885
US-20100173910-A1 TRIAMINOPYRIMIDINE CYCLOBUTENEDIONE DERIVATIVES USED AS PHOSPHATASE CDC25 INHIBITORS CDC25B, CDC25A, CDC25C CASP1 4179/4885CASP5 2010/4885CASP4 3534/4885

“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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