SCHEMBL4016450

SCHEMBL4016450

COc1ccc(CCc2cc(N)n[nH]2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 1/20 0.58
DAO P14920 2/20 0.49
NPC1 O15118 1/20 0.48
MAPT P10636 1/20 0.48
RAB9A P51151 1/20 0.48
GFER P55789 1/20 0.48
MAOB P27338 2/20 0.47
TAAR1 Q96RJ0 1/20 0.47
CYP19A1 P11511 1/20 0.46
TUBB4A P04350 1/20 0.45
TUBB P07437 1/20 0.45
TUBA3C P0DPH7 1/20 0.45
TUBA1B P68363 1/20 0.45
TUBA4A P68366 1/20 0.45
TUBB4B P68371 1/20 0.45
TUBB3 Q13509 1/20 0.45
TUBB2A Q13885 1/20 0.45
TUBB8 Q3ZCM7 1/20 0.45
TUBA3E Q6PEY2 1/20 0.45
TUBA1A Q71U36 1/20 0.45

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
SCHEMBL1922681 0.86 CYP19A1 (0.51) DYRK1ADAOCYP19A1ALDH1A1FGFR1
SCHEMBL4853841 0.86 DYRK1A (0.59) DYRK1ANPC1MAPTRAB9AGFER
SCHEMBL14723469 0.84 DYRK1A (0.51) DYRK1ANPC1MAPTRAB9AGFER
SCHEMBL4012249 0.84 TAAR1 (0.54) DYRK1ADAOTAAR1SIGMAR1AOC3
SCHEMBL3946519 0.82 CYP19A1 (0.58) DAOCYP19A1KDM4EALDH1A1POLB
SCHEMBL3940159 0.81 DYRK1A (0.43) DYRK1ANPC1MAPTRAB9AGFER
SCHEMBL3937754 0.80 MAPT (0.49) DAONPC1MAPTRAB9AGFER
SCHEMBL3935675 0.80 FGFR2 (0.44) DYRK1ADAOCYP19A1FGFR1FGFR2
SCHEMBL17967278 0.79 MKNK1 (0.54) DAONPC1MAPTRAB9AGFER
SCHEMBL3947733 0.78 COMT (0.49) DAONPC1MAPTRAB9AGFER

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 DYRK1A 4821/4885DAO 4285/4885NPC1 13/4885

“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.