SCHEMBL3457749

SCHEMBL3457749

C=CCNc1cc(-c2ccccc2)nc(Cl)n1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.54
ALDH1A1 P00352 5/20 0.54
MEN1 O00255 4/20 0.54
SMN1; SMN2 Q16637 4/20 0.54
L3MBTL1 Q9Y468 3/20 0.54
HPGD P15428 3/20 0.54
SLC2A1 P11166 1/20 0.50
HRH4 Q9H3N8 4/20 0.47
MAPT P10636 3/20 0.46
KDM4E B2RXH2 3/20 0.46
TDP1 Q9NUW8 1/20 0.46
NPC1 O15118 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
NFKB1 P19838 1/20 0.42
CYP2C19 P33261 1/20 0.42
RAB9A P51151 1/20 0.42
NFKB2 Q00653 1/20 0.42

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
SCHEMBL11690133 0.81 ESR1 (0.50) KMT2AALDH1A1MEN1SMN1; SMN2L3MBTL1
SCHEMBL3450708 0.79 ALDH1A1 (0.58) KMT2AALDH1A1MEN1SMN1; SMN2L3MBTL1
SCHEMBL3228726 0.77 HRH4 (0.57) KMT2AALDH1A1MEN1SMN1; SMN2L3MBTL1
SCHEMBL9235311 0.76 CDC7 (0.44) KMT2AALDH1A1MEN1SMN1; SMN2L3MBTL1
SCHEMBL3233802 0.75 TLR8 (0.71) KMT2AALDH1A1MEN1SMN1; SMN2L3MBTL1
SCHEMBL416616 0.74 MEN1 (0.66) KMT2AALDH1A1MEN1SMN1; SMN2L3MBTL1
SCHEMBL3473227 0.74 MEN1 (0.66) KMT2AALDH1A1MEN1SMN1; SMN2L3MBTL1
SCHEMBL15757006 0.74 AGPAT2 (0.52) KMT2AALDH1A1MEN1SMN1; SMN2L3MBTL1
SCHEMBL21765569 0.73 MEN1 (0.63) KMT2AALDH1A1MEN1SMN1; SMN2L3MBTL1
SCHEMBL782567 0.73 MEN1 (1.00) KMT2AALDH1A1MEN1SMN1; SMN2L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7820654-B2 Pyrimidine compounds, process for their preparation and compositions containing them DR. REDDY'S LABORATORIES LTD. (IN) 2010-10-26 US disclosed
US-20060084645-A1 Novel pyrimidine compounds, process for their preparation and compositions containing them DR. REDDY'S LABORATORIES LTD. (IN) 2006-04-20 US 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-20060084645-A1 Novel pyrimidine compounds, process for their preparation and compositions containing them UMPS, DPYD, TYMS KMT2A 4623/4885ALDH1A1 3580/4885MEN1 4470/4885

“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.