SCHEMBL4161900

SCHEMBL4161900

COCCCc1cc(N)n[nH]1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 7/20 0.45
DAO P14920 1/20 0.44
DYRK1A Q13627 1/20 0.40
NPC1 O15118 1/20 0.38
MAPT P10636 1/20 0.38
RAB9A P51151 1/20 0.38
GFER P55789 1/20 0.38
IGF1R P08069 4/20 0.37
FGFR1 P11362 4/20 0.37
KDR P35968 4/20 0.37
MITF O75030 1/20 0.37
ALDH1A1 P00352 1/20 0.37
TP53 P04637 1/20 0.37
KMT2A Q03164 1/20 0.37
HSD17B10 Q99714 2/20 0.36
GAA P10253 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HCAR3 P49019 3/20 0.36
INSR P06213 1/20 0.35
TLR7 Q9NYK1 1/20 0.34

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
SCHEMBL4011081 0.84 GAA (0.42) HCAR2DYRK1ANPC1MAPTRAB9A
SCHEMBL9140451 0.79 HCAR2 (0.54) HCAR2DAODYRK1ANPC1MAPT
SCHEMBL19732648 0.79
SCHEMBL2865249 0.78 HCAR2 (0.56) HCAR2NPC1MAPTRAB9AGFER
SCHEMBL1706467 0.75
SCHEMBL5599955 0.73 HCAR2 (0.82) HCAR2DAOHCAR3
Hydrochloric Acid SCHEMBL1707357 0.73 NPC1 (0.54) HCAR2DYRK1ANPC1MAPTRAB9A
SCHEMBL17950142 0.72
SCHEMBL23500955 0.72
SCHEMBL4521656 0.71 DAO (0.37) HCAR2DAOIGF1RFGFR1KDR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101501030-A Pyrimidine derivatives useful in the treatment of cancer ASTRAZENECA AB (SE) 2009-08-05 CN disclosed
EP-2044063-A1 PYRIMIDINE DERIVATIVES USEFUL IN THE TREATMENT OF CANCER Astra Zeneca AB (SE) 2009-04-08 EP disclosed
WO-2008001070-A1 PYRIMIDINE DERIVATIVES USEFUL IN THE TREATMENT OF CANCER ASTRAZENECA AB (SE) 2008-01-03 WO disclosed
US-20080004302-A1 Novel Compounds ASTRAZENECA AB (SE) 2008-01-03 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-20080004302-A1 Novel Compounds CYP11B2, CYP11B1, CYP46A1 HCAR2 1017/4885DAO 4285/4885DYRK1A 4821/4885

“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.