SCHEMBL9913790

SCHEMBL9913790

CCCc1ncc(C[n+]2ccccc2)c(N)n1

nearest known ligand 0.63

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.63
LMNA P02545 2/20 0.63
SLC19A2 O60779 1/20 0.63
USP2 O75604 1/20 0.63
CASP1 P29466 1/20 0.63
TDP1 Q9NUW8 1/20 0.63
DHFR P00374 3/20 0.33
HSP90AA1 P07900 1/20 0.32
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
HTT P42858 1/20 0.31
TLR8 Q9NR97 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
Amprolium Ion SCHEMBL29387363 0.80 KDM4E (0.95) KDM4ELMNASLC19A2USP2CASP1
Amprolium Ion SCHEMBL363586 0.80 KDM4E (0.95) KDM4ELMNASLC19A2USP2CASP1
Amprolium Ion SCHEMBL362893 0.79 KDM4E (0.98) KDM4ELMNASLC19A2USP2CASP1
Amprolium Ion SCHEMBL29910331 0.79 KDM4E (0.98) KDM4ELMNASLC19A2USP2CASP1
Amprolium Ion SCHEMBL20659804 0.79 KDM4E (0.98) KDM4ELMNASLC19A2USP2CASP1
Amprolium Ion SCHEMBL204024 0.79 KDM4E (0.98) KDM4ELMNASLC19A2USP2CASP1
Amprolium Ion SCHEMBL28047744 0.79 KDM4E (0.98) KDM4ELMNASLC19A2USP2CASP1
SCHEMBL26499521 0.78 DHFR (0.45) DHFR
Amprolium Ion SCHEMBL204023 0.78 KDM4E (1.00) KDM4ELMNASLC19A2USP2CASP1
Amprolium Ion SCHEMBL29737311 0.78 KDM4E (1.00) KDM4ELMNASLC19A2USP2CASP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8252927-B2 Synthesis of substituted 4-amino-pyrimidines DSM IP ASSETS B.V. (NL) 2012-08-28 US disclosed
US-8252927-B2 Synthesis of substituted 4-amino-pyrimidines DSM IP ASSETS B.V. (NL) 2012-08-28 US disclosed
US-8198443-B2 Synthesis of 4-amino-pyrimidines scaffolds DSM IP ASSETS B.V. (NL) 2012-06-12 US disclosed
US-8198443-B2 Synthesis of 4-amino-pyrimidines scaffolds DSM IP ASSETS B.V. (NL) 2012-06-12 US disclosed
US-20110178300-A1 NOVEL SYNTHESIS OF SUBSTITUTED 4-AMINO-PYRIMIDINES DSM IP ASSETS B.V. (NL) 2011-07-21 US disclosed
US-20110178300-A1 NOVEL SYNTHESIS OF SUBSTITUTED 4-AMINO-PYRIMIDINES DSM IP ASSETS B.V. (NL) 2011-07-21 US disclosed
WO-2010010113-A1 Novel synthesis of substituted 4-amino-pyrimidines DSM IP ASSETS B.V. (NL) 2010-01-28 WO disclosed
US-20100016591-A1 SYNTHESIS OF 4-AMINO-PYRIMIDINES SCAFFOLDS DSM IP ASSETS B.V. (NL) 2010-01-21 US disclosed
US-20100016591-A1 SYNTHESIS OF 4-AMINO-PYRIMIDINES SCAFFOLDS DSM IP ASSETS B.V. (NL) 2010-01-21 US disclosed
WO-2008087021-A1 SYNTHESIS OF 4-AMINO-PYRIMIDINES DSM IP ASSETS B.V. (NL) 2008-07-24 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-20110178300-A1 NOVEL SYNTHESIS OF SUBSTITUTED 4-AMINO-PYRIMIDINES IL4I1, CCNB1, VKORC1 KDM4E 951/4885LMNA 1762/4885SLC19A2 9/4885
US-20100016591-A1 SYNTHESIS OF 4-AMINO-PYRIMIDINES SCAFFOLDS HRH3, HRH4, CBR3 KDM4E 3903/4885LMNA 2347/4885SLC19A2 4365/4885

“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.