SCHEMBL4016522

SCHEMBL4016522

COc1cc(CCc2cc(N)n[nH]2)cc(OC)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 1/20 0.40
FGFR2 P21802 4/20 0.39
FGFR1 P11362 4/20 0.39
FGFR3 P22607 3/20 0.39
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
MAPT P10636 1/20 0.38
GFER P55789 1/20 0.38
ALDH1A1 P00352 3/20 0.36
COMT P21964 1/20 0.35
AURKA O14965 1/20 0.35
PDPK1 O15530 1/20 0.35
TGFBR1 P36897 1/20 0.35
ROCK1 Q13464 1/20 0.35
AURKB Q96GD4 1/20 0.35
HSD17B10 Q99714 3/20 0.35
HCAR2 Q8TDS4 1/20 0.35
HTT P42858 1/20 0.33
MITF O75030 1/20 0.33
TP53 P04637 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
SCHEMBL1922681 0.83 CYP19A1 (0.51) DYRK1AFGFR2FGFR1FGFR3ALDH1A1
SCHEMBL4016450 0.78 DYRK1A (0.58) DYRK1AFGFR2FGFR1FGFR3NPC1
SCHEMBL3930848 0.77 MPO (0.48) DYRK1AFGFR2FGFR1FGFR3NPC1
SCHEMBL3935675 0.77 FGFR2 (0.44) DYRK1AFGFR2FGFR1FGFR3AURKA
SCHEMBL3946519 0.76 CYP19A1 (0.58) ALDH1A1HSD17B10KMT2AGAASMN1; SMN2
SCHEMBL3937519 0.75 DAO (0.45) NPC1RAB9AMAPTGFERALDH1A1
SCHEMBL3947733 0.75 COMT (0.49) NPC1RAB9AMAPTGFERCOMT
SCHEMBL3940159 0.75 DYRK1A (0.43) DYRK1AFGFR2FGFR1FGFR3NPC1
SCHEMBL4012249 0.75 TAAR1 (0.54) DYRK1AFGFR2FGFR1FGFR3BACE1
SCHEMBL4011684 0.73 CYP3A4 (0.36) DYRK1ANPC1RAB9AMAPTGFER

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 DYRK1A 4821/4885FGFR2 2044/4885FGFR1 1428/4885

“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.