SCHEMBL4018767

SCHEMBL4018767

Nc1cc(CCc2ccoc2)[nH]n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.39
MAPT P10636 1/20 0.39
RAB9A P51151 1/20 0.39
GFER P55789 1/20 0.39
HCAR3 P49019 1/20 0.36
PDPK1 O15530 1/20 0.35
HPGD P15428 1/20 0.35
DYRK1A Q13627 2/20 0.34
PIM1 P11309 1/20 0.34
DYRK2 Q92630 1/20 0.34
DYRK1B Q9Y463 1/20 0.34
ALDH1A1 P00352 2/20 0.34
KMT2A Q03164 2/20 0.34
MITF O75030 1/20 0.34
TP53 P04637 1/20 0.34
NTRK1 P04629 1/20 0.34
MKNK1 Q9BUB5 1/20 0.33
MKNK2 Q9HBH9 1/20 0.33
MEN1 O00255 1/20 0.33
USP2 O75604 1/20 0.33

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
SCHEMBL3947733 0.76 COMT (0.49) NPC1MAPTRAB9AGFERHPGD
SCHEMBL3937754 0.75 MAPT (0.49) NPC1MAPTRAB9AGFER
SCHEMBL3940488 0.75 HRH4 (0.47) NPC1MAPTRAB9AGFERPDPK1
SCHEMBL63865 0.74 HCAR3 (0.36) HCAR3HPGDDYRK1APIM1DYRK2
SCHEMBL17967278 0.73 MKNK1 (0.54) NPC1MAPTRAB9AGFERALDH1A1
SCHEMBL3937519 0.73 DAO (0.45) NPC1MAPTRAB9AGFERALDH1A1
SCHEMBL4010596 0.72 SLC1A3 (0.35) NPC1MAPTRAB9AGFERHCAR3
SCHEMBL8670495 0.72 ALOX5 (0.43) MAPTHCAR3HPGDALDH1A1KMT2A
SCHEMBL3947954 0.71 TAAR1 (0.51) NPC1RAB9A
SCHEMBL27752733 0.71 NOS1 (0.40) NPC1MAPTRAB9AGFERALDH1A1

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 NPC1 13/4885MAPT 2200/4885RAB9A 1172/4885

“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.