SCHEMBL4017016

SCHEMBL4017016

Nc1cc(COc2ccccc2)[nH]n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.46
NPC1 O15118 4/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
DAO P14920 1/20 0.45
IKBKE Q14164 1/20 0.43
MAPT P10636 3/20 0.42
ALDH1A1 P00352 2/20 0.42
LMNA P02545 1/20 0.42
HPGD P15428 1/20 0.42
KCNH2 Q12809 1/20 0.42
MAOB P27338 2/20 0.41
SOD1 P00441 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
GAA P10253 1/20 0.41
MAOA P21397 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
PIK3CD O00329 1/20 0.40
PIK3CA P42336 1/20 0.40
PIK3CB P42338 1/20 0.40
PIK3CG P48736 1/20 0.40

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
SCHEMBL14705862 0.85 SMN1; SMN2 (0.40) SMN1; SMN2IKBKEALDH1A1GAA
SCHEMBL23854651 0.78 TSHR (0.50) IKBKEHPGDMAOBPIK3CDPIK3CA
SCHEMBL4011503 0.78 DYRK1A (0.49) SMN1; SMN2MAPTALDH1A1HPGDGAA
SCHEMBL1149631 0.76 HCAR2 (0.64)
SCHEMBL12726140 0.76 DAO (0.45) RAB9ANPC1SMN1; SMN2DAOMAPT
SCHEMBL9080444 0.75 NPC1 (0.45) RAB9ANPC1SMN1; SMN2ALDH1A1LMNA
SCHEMBL16234233 0.74 DAO (0.55) DAOSOD1
SCHEMBL12858206 0.73 HCAR2 (0.53) SMN1; SMN2DAOMAPTALDH1A1MAOB
SCHEMBL3499891 0.73 HPGD (0.59) ALDH1A1HPGD
SCHEMBL3941256 0.72 KCNH2 (0.50) RAB9ANPC1SMN1; SMN2IKBKEMAPT

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 RAB9A 1172/4885NPC1 13/4885SMN1; SMN2 1059/4885

“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.