SCHEMBL4900894

SCHEMBL4900894

CCOc1c(-c2ccccc2)nc(N)nc1N1CCSCC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.45
NPSR1 Q6W5P4 3/20 0.42
ALDH1A1 P00352 3/20 0.42
CYP1A2 P05177 2/20 0.42
CYP2C9 P11712 2/20 0.42
CYP2C19 P33261 2/20 0.42
POLB P06746 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
RAB9A P51151 2/20 0.40
NPC1 O15118 1/20 0.40
MAPK1 P28482 1/20 0.40
ADORA2A P29274 3/20 0.39
ADORA1 P30542 3/20 0.39
HRH4 Q9H3N8 6/20 0.38
HRH2 P25021 1/20 0.38
HRH1 P35367 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
AR P10275 1/20 0.38
MTOR P42345 1/20 0.37
MEN1 O00255 1/20 0.37

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
SCHEMBL4904048 0.91 L3MBTL1 (0.41) L3MBTL1NPSR1ALDH1A1CYP1A2CYP2C9
SCHEMBL4907732 0.71 ADORA2A (0.37) ADORA2AADORA1
SCHEMBL3070847 0.69 L3MBTL1 (0.41) L3MBTL1ALDH1A1RAB9ANPC1MAPK1
SCHEMBL27738433 0.67 HRH4 (0.62) NPSR1POLBRAB9AADORA2AADORA1
SCHEMBL4904056 0.67 ADORA1 (0.39) ADORA2AADORA1
SCHEMBL8827951 0.65 MEN1 (0.46) L3MBTL1NPSR1ALDH1A1CYP1A2CYP2C9
SCHEMBL4735759 0.65 HRH4 (0.57) ADORA2AADORA1HRH4HRH2HRH1
SCHEMBL510728 0.65 NPC1 (0.49) ALDH1A1RAB9ANPC1MAPK1ADORA2A
SCHEMBL13377678 0.65 ALDH1A1 (0.49) ALDH1A1RAB9ANPC1MAPK1ADORA2A
SCHEMBL4900919 0.64 ADORA1 (0.47) POLBADORA2AADORA1HRH3MEN1

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-8349859-B2 Pyrimidine derivatives HUTCHISON MEDIPHARMA ENTERPRISES LIMITED (BS) 2013-01-08 US disclosed
US-20080255172-A1 N4-(2-methyl-1H-indol-5-yl)-N2-phenylpyrimidine-2,4-diamine; angiogenesis related disorder like cancer or age-related macular degeneration HUTCHISON MEDIPHARMA ENTERPRISES LIMETED (BS) 2008-10-16 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-20080255172-A1 N4-(2-methyl-1H-indol-5-yl)-N2-phenylpyrimidine-2,4-diamine; angiogenesis related disorder like cancer or age-related macular degeneration CCND2, KDR, FLT4 L3MBTL1 419/4885NPSR1 2984/4885ALDH1A1 1466/4885

“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.