SCHEMBL1672138

SCHEMBL1672138

Nc1nc(N)c2ncn(CC(=O)O)c2n1

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 3/20 0.62
CCNB1 P14635 3/20 0.62
CCNE1 P24864 3/20 0.62
CDK2 P24941 3/20 0.62
CYP2C19 P33261 1/20 0.49
EGFR P00533 1/20 0.47
CSNK2A2 P19784 2/20 0.45
CSNK2A1 P68400 2/20 0.45
HSP90AA1 P07900 1/20 0.43
HSP90AB1 P08238 1/20 0.43
HDAC6 Q9UBN7 4/20 0.43
HDAC1 Q13547 3/20 0.43
ALDH1A1 P00352 2/20 0.43
HDAC4 P56524 1/20 0.42
LMNA P02545 1/20 0.41
KDM4E B2RXH2 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
AHCY P23526 1/20 0.41

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
SCHEMBL30052313 1.00 CDK1 (0.62) CDK1CCNB1CCNE1CDK2CYP2C19
SCHEMBL2153079 0.86 HDAC6 (0.56) CYP2C19HSP90AA1HSP90AB1HDAC6HDAC1
SCHEMBL9388321 0.85 CYP2C19 (0.47) CDK1CCNB1CCNE1CDK2CYP2C19
SCHEMBL7388886 0.85 CCNE1 (0.59) CDK1CCNB1CCNE1CDK2CYP2C19
SCHEMBL4735463 0.82 CDK1 (0.49) CDK1CCNB1CCNE1CDK2CYP2C19
SCHEMBL23885478 0.81 CDK1 (0.44) CDK1CCNB1CCNE1CDK2CYP2C19
SCHEMBL30052639 0.81 CDK1 (0.44) CDK1CCNB1CCNE1CDK2CYP2C19
SCHEMBL8768015 0.81 HSP90AB1 (0.52) CDK1CCNB1CCNE1CDK2CYP2C19
SCHEMBL431825 0.80 CDK1 (0.61) CDK1CCNB1CCNE1CDK2CYP2C19
SCHEMBL22300666 0.80 CCNE1 (0.70) CDK1CCNB1CCNE1CDK2HSP90AA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230159536-A1 PYRROLOPYRIMIDINE AMINES AS COMPLEMENT INHIBITORS WILMINGTON TRUST, NATIONAL ASSOCIATION 2023-05-25 US disclosed
US-20230159536-A1 PYRROLOPYRIMIDINE AMINES AS COMPLEMENT INHIBITORS WILMINGTON TRUST, NATIONAL ASSOCIATION 2023-05-25 US disclosed
US-20230159536-A1 PYRROLOPYRIMIDINE AMINES AS COMPLEMENT INHIBITORS WILMINGTON TRUST, NATIONAL ASSOCIATION 2023-05-25 US disclosed
EP-4125914-A1 PYRROLOPYRIMIDINE AMINES AS COMPLEMENT INHIBITORS Biocryst Pharmaceuticals, Inc. (US) 2023-02-08 EP disclosed
WO-2021202977-A1 PYRROLOPYRIMIDINE AMINES AS COMPLEMENT INHIBITORS BIOCRYST PHARMACEUTICALS, INC. (US) 2021-10-07 WO disclosed
US-20200292535-A1 METHOD FOR EVALUATION OF TARGET IN HISTOLOGICAL SAMPLE DAKO DENMARK A/S (DK) 2020-09-17 US disclosed
US-10648970-B2 Method for evaluation of target in histological sample AGILENT TECHNOLOGIES, INC. (US) 2020-05-12 US disclosed
EP-2646795-B1 METHODS FOR ANALYZING IMAGES OF SPECIMENS PROCESSED BY A PROGRAMMABLE QUANTITATIVE ASSAY DAKO DENMARK AS (DK) 2019-02-20 EP disclosed
US-10180426-B2 Quantification of single target molecules in histological samples DAKO DENMARK A/S (DK) 2019-01-15 US disclosed
US-9970874-B2 Methods and systems for analyzing images of specimens processed by a programmable quantitative assay DAKO DENMARK A/S (DK) 2018-05-15 US disclosed
US-20100240085-A1 CONJUGATE MOLECULES DAKO DENMARK APS (DK) 2010-09-23 US disclosed
WO-2010094284-A1 METHODS AND COMPOUNDS FOR DETECTION OF MOLECULAR TARGETS DAKO DENMARK A/S (DK) 2010-08-26 WO disclosed
WO-2010094283-A1 CONJUGATE MOLECULES DAKO DENMARK A/S (DK) 2010-08-26 WO disclosed
EP-1261611-A2 INHIBITORS OF HEPATITIS C VIRUS NS3 PROTEASE Bristol-Myers Squibb Pharma Company (US) 2002-12-04 EP disclosed
EP-1252178-A1 ALPHA-KETOAMIDE INHIBITORS OF HEPATITIS C VIRUS NS3 PROTEASE Bristol-Myers Squibb Pharma Company (US) 2002-10-30 EP disclosed
EP-1196436-A2 PEPTIDE BORONIC ACID INHIBITORS OF HEPATITIS C VIRUS PROTEASE Bristol-Myers Squibb Pharma Company (US) 2002-04-17 EP disclosed
WO-2001064678-A2 INHIBITORS OF HEPATITIS C VIRUS NS3 PROTEASE BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2001-09-07 WO disclosed
WO-2001040262-A1 ALPHA-KETOAMIDE INHIBITORS OF HEPATITIS C VIRUS NS3 PROTEASE BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2001-06-07 WO disclosed
EP-1085020-A1 Synthesis of modified diaminopurines and their incorporation into oligomers DAKO A/S (DK) 2001-03-21 EP disclosed
WO-2001002424-A2 PEPTIDE BORONIC ACID INHIBITORS OF HEPATITIS C VIRUS PROTEASE DU PONT PHARMACEUTICALS COMPANY (US) 2001-01-11 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-20230159536-A1 PYRROLOPYRIMIDINE AMINES AS COMPLEMENT INHIBITORS C5, C9, C1QBP CDK1 537/4885CCNB1 742/4885CCNE1 1662/4885

“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.