SCHEMBL1570123

SCHEMBL1570123

[c]1cc(-c2cn[nH]c2)cc(N2CCOCC2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BMPR1B O00238 1/20 0.45
▸ KDR P35968 1/20 0.45
▸ BMPR1A P36894 1/20 0.45
▸ ACVR1B P36896 1/20 0.45
▸ TGFBR1 P36897 1/20 0.45
▸ ACVRL1 P37023 1/20 0.45
▸ TGFBR2 P37173 1/20 0.45
▸ ACVR1 Q04771 1/20 0.45
▸ BMPR2 Q13873 1/20 0.45
▸ PRKAB1 Q9Y478 1/20 0.45
▸ LRRK2 Q5S007 4/20 0.43
▸ CDK2 P24941 1/20 0.43
▸ GSK3B P49841 1/20 0.43
▸ CHEK1 O14757 2/20 0.42
▸ MAPKAPK5 Q8IW41 2/20 0.42
▸ MET P08581 2/20 0.40
▸ PDE3B Q13370 2/20 0.40
▸ PDE3A Q14432 2/20 0.40
▸ PIK3CA P42336 3/20 0.39
▸ PIK3R2 O00459 1/20 0.38

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
SCHEMBL29921915 0.80 CHEK1 (0.53) BMPR1BKDRBMPR1AACVR1BTGFBR1
SCHEMBL29071545 0.80 CHEK1 (0.53) BMPR1BKDRBMPR1AACVR1BTGFBR1
SCHEMBL1570038 0.75 AR (0.44) CDK2GSK3BPIK3CAMAPK10MTOR
SCHEMBL3947775 0.75 LMNA (0.50) GSK3BPIK3CAPIK3CD
SCHEMBL1569971 0.74 CHEK1 (0.46) LRRK2CHEK1PIK3CA
SCHEMBL732740 0.74 PIK3CA (0.35) LRRK2CHEK1PDE3BPDE3APIK3CA
SCHEMBL20029214 0.73 BMPR1B (0.46) BMPR1BKDRBMPR1AACVR1BTGFBR1
SCHEMBL730703 0.71 LRRK2 (0.35) KDRLRRK2PDE3BPDE3APIK3CA
SCHEMBL27847540 0.71 LGMN (0.46) —
SCHEMBL30875530 0.69 PDE3B (0.49) BMPR1BKDRBMPR1AACVR1BTGFBR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102123991-A 2-arylaminoquinazolines for the treatment of proliferative diseases NOVARTIS AG 2011-07-13 — — CN disclosed
EP-2307385-A1 2 -ARYLAMINOQUINAZOLINES FOR TREATING PROLIFERATIVE DISEASES Novartis AG (CH) 2011-04-13 — — EP disclosed
US-20100216767-A1 QUINAZOLINES FOR PDK1 INHIBITION AIKAWA MINA 2010-08-26 — — US disclosed
US-20100121052-A1 Novel compounds for treating proliferative diseases JAIN RAMA 2010-05-13 — — US disclosed
CN-101652352-A Quinazolines for PDK1 inhibition NOVARTIS VACCINES & DIAGNOSTIC 2010-02-17 — — CN disclosed
WO-2009153313-A1 2 -ARYLAMINOQUINAZOLINES FOR TREATING PROLIFERATIVE DISEASES NOVARTIS AG (CH) 2009-12-23 — — WO 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 (2 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-20100216767-A1 QUINAZOLINES FOR PDK1 INHIBITION PDK1, PDK2, PDK3 BMPR1B 4107/4885KDR 957/4885BMPR1A 3876/4885
US-20100121052-A1 Novel compounds for treating proliferative diseases PDK1, PDK2, PDK3 BMPR1B 2904/4885KDR 1028/4885BMPR1A 3035/4885

“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.

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