SCHEMBL1569971

SCHEMBL1569971

[c]1cc(-c2cccnc2)cc(N2CCOCC2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHEK1 O14757 1/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ ALDH1A1 P00352 1/20 0.45
▸ HTT P42858 1/20 0.45
▸ PIK3CA P42336 4/20 0.45
▸ PIK3CB P42338 2/20 0.45
▸ PIK3CG P48736 2/20 0.45
▸ PLOD2 O00469 1/20 0.44
▸ PLOD3 O60568 1/20 0.44
▸ PLOD1 Q02809 1/20 0.44
▸ LRRK2 Q5S007 3/20 0.44
▸ RPS6KA3 P51812 1/20 0.44
▸ TP53 P04637 1/20 0.43
▸ JAK2 O60674 1/20 0.43
▸ JAK3 P52333 1/20 0.43
▸ PTK2 Q05397 1/20 0.43
▸ GBA1 P04062 1/20 0.43
▸ CLK1 P49759 1/20 0.43
▸ DYRK1A Q13627 1/20 0.43
▸ CYP1A1 P04798 1/20 0.43

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
SCHEMBL16570272 0.84 CHRNB2 (0.52) CHEK1ALDH1A1GBA1CYP1A2
SCHEMBL1570038 0.83 AR (0.44) HTTPIK3CAPIK3CBPIK3CGPLOD2
SCHEMBL1570304 0.78 RPS6KA3 (0.53) PIK3CARPS6KA3
SCHEMBL3728634 0.76 RPS6KA3 (0.46) SMN1; SMN2ALDH1A1PLOD2PLOD3PLOD1
SCHEMBL7953768 0.75 CYP2A6 (0.65) SMN1; SMN2ALDH1A1HTTTP53DYRK1A
SCHEMBL1312340 0.74 PIK3CA (0.60) SMN1; SMN2ALDH1A1HTTPIK3CAPIK3CB
SCHEMBL256566 0.74 CHRNB2 (0.59) SMN1; SMN2ALDH1A1HTTPLOD2PLOD3
SCHEMBL29442130 0.74 CHRNB2 (0.59) SMN1; SMN2ALDH1A1HTTPLOD2PLOD3
SCHEMBL1570123 0.74 BMPR1B (0.45) CHEK1PIK3CALRRK2
SCHEMBL27845768 0.74 AR (0.72) CHEK1SMN1; SMN2ALDH1A1HTTPIK3CA

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 7 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
WO-2008079988-A9 QUINAZOLINES FOR PDK1 INHIBITION NOVARTIS AG (CH) 2011-05-12 — — WO 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 CHEK1 163/4885SMN1; SMN2 3375/4885ALDH1A1 2630/4885
US-20100121052-A1 Novel compounds for treating proliferative diseases PDK1, PDK2, PDK3 CHEK1 320/4885SMN1; SMN2 2726/4885ALDH1A1 2281/4885

“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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