SCHEMBL1371022

SCHEMBL1371022

CSc1ncc2[nH]cnc2n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.53
KDM4E B2RXH2 1/20 0.53
CDK2 P24941 2/20 0.42
RXFP1 Q9HBX9 1/20 0.42
PAK1 Q13153 1/20 0.41
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C19 P33261 1/20 0.40
HSP90AB1 P08238 3/20 0.39
MAP3K5 Q99683 1/20 0.39
TP53 P04637 1/20 0.38
HSD17B10 Q99714 1/20 0.38
POLA1 P09884 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
CCNT1 O60563 1/20 0.36
CDK1 P06493 1/20 0.36
CCNB1 P14635 1/20 0.36
CDK7 P50613 1/20 0.36

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
SCHEMBL29120496 0.85 KDM4E (0.58) ALDH1A1KDM4ECDK2RXFP1PAK1
SCHEMBL11802315 0.84 ALDH1A1 (0.57) ALDH1A1KDM4ECDK2RXFP1PAK1
SCHEMBL28715732 0.81 ALDH1A1 (0.58) ALDH1A1KDM4ECDK2RXFP1PAK1
SCHEMBL7592034 0.80 ALDH1A1 (0.49) ALDH1A1KDM4ECDK2RXFP1PAK1
SCHEMBL29120493 0.80 KDM4E (0.49) ALDH1A1KDM4ECDK2RXFP1PAK1
SCHEMBL30729987 0.79 ALDH1A1 (0.47) ALDH1A1KDM4ECDK2RXFP1PAK1
SCHEMBL27773229 0.77 ALDH1A1 (0.49) ALDH1A1KDM4ECDK2RXFP1PAK1
SCHEMBL16802769 0.75 MEN1 (0.52) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL27535767 0.75 XDH (0.47) ALDH1A1KDM4ECDK2RXFP1PAK1
SCHEMBL27469940 0.74 CDK2 (0.51) ALDH1A1KDM4ECDK2RXFP1PAK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1491201-B1 Methods of reducing toxicity of 5-fluorouracil with acylated pyrimidine nucleosides WELLSTAT THERAPEUTICS CORP (US) 2006-03-22 EP claimed
JP-2003506375-A 2003-02-18 JP claimed
EP-1200435-A1 PURINE DERIVATIVES INHIBITORS OF TYROSINE PROTEIN KINASE SYK Novartis AG (CH) 2002-05-02 EP claimed
WO-2001009134-A1 PURINE DERIVATIVES INHIBITORS OF TYROSINE PROTEIN KINASE SYK NOVARTIS AG (CH) 2001-02-08 WO claimed
US-20250333418-A1 PURINE COMPOUNDS, COMPOSITIONS COMPRISING THEM AND USES THEREOF NOVO NORDISK AS (DK) 2025-10-30 US disclosed
CN-111123643-B Protective composition and method for forming photoresist pattern 台湾积体电路制造股份有限公司 2023-11-07 CN disclosed
EP-3452477-B1 ADENINE DERIVATIVES AS PROTEIN KINASE INHIBITORS B C I PHARMA (BE) 2023-09-13 EP disclosed
CN-115151642-A Antisense nucleic acids capable of exon skipping 日本新药株式会社 2022-10-04 CN disclosed
US-11236093-B2 Adenine derivatives as protein kinase inhibitors B.C.I. PHARMA (BE) 2022-02-01 US disclosed
US-20190127379-A1 ADENINE DERIVATIVES AS PROTEIN KINASE INHIBITORS B.C.I. PHARMA (BE) 2019-05-02 US disclosed
EP-3452477-A1 ADENINE DERIVATIVES AS PROTEIN KINASE INHIBITORS B.C.I. Pharma (BE) 2019-03-13 EP disclosed
WO-2017191297-A1 ADENINE DERIVATIVES AS PROTEIN KINASE INHIBITORS BCI PHARMA (FR) 2017-11-09 WO disclosed
US-20020028476-A1 Method of determining thiopurine methyltransferase activity PROMETHEUS LABORATORIES, INC. 2002-03-07 US disclosed
WO-2001090308-A2 METHOD OF DETERMINING THIOPURINE METHYLTRANSFERASE ACTIVITY PROMETHEUS LABORATORIES, INC. (US) 2001-11-29 WO disclosed
US-6319682-B1 DETECTING CHLORIDE CHANNEL MODULATORS; MIX CELL AND HYDROGEN ION CONCENTRATION ADJUSTER, EVALUATE AND RECORD CELL ACTIVITY, INCUBATE CELLS WITH MODULATOR AND EVALUATE CELL ACTIVITY, COMPARE TO CONTROL CYTOSCAN SCIENCES, L.L.C. 2001-11-20 US disclosed
EP-0533744-A1 HETEROCYCLIC ANTHRACYCLIONE AND ANTHRACYCLINE ANALOGS BIOCHEM PHARMA INC. (CA) 1993-03-31 EP disclosed
US-4622324-A CARDIOVASCULAR DISORDERS, HYPOTENSIVES DR. WILLMAR SCHWABE GMBH & CO. (DE) 1986-11-11 US disclosed
EP-0044928-B1 1,4;3,6-DIANHYDRO-HEXITE-NITRATE SUBSTITUTED BY PURINE BASES, PROCESS FOR THEIR PREPARATION AND THEIR PHARMACEUTICAL COMPOSITIONS Dr. Willmar Schwabe GmbH & Co. (DE) 1985-03-13 EP disclosed
US-4479951-A CORONARY DIESASE DR. WILLMAR SCHWABE GMBH & CO. (DE) 1984-10-30 US disclosed
EP-0044928-A1 1,4;3,6-Dianhydro-hexite-nitrate substituted by purine bases, process for their preparation and their pharmaceutical compositions Dr. Willmar Schwabe GmbH & Co. (DE) 1982-02-03 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 (3 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-11236093-B2 Adenine derivatives as protein kinase inhibitors ADK, TNNI3K, TNK2 ALDH1A1 3196/4885KDM4E 1276/4885CDK2 62/4885
US-20190127379-A1 ADENINE DERIVATIVES AS PROTEIN KINASE INHIBITORS ADK, TNNI3K, TNK2 ALDH1A1 3196/4885KDM4E 1276/4885CDK2 62/4885
US-20250333418-A1 PURINE COMPOUNDS, COMPOSITIONS COMPRISING THEM AND USES THEREOF CNR1, CNR2, P2RY1 ALDH1A1 1291/4885KDM4E 3616/4885CDK2 1294/4885

“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.