SCHEMBL1633089

SCHEMBL1633089

O=C(c1ccc(Nc2ncc3ccc(N(CCO)CCO)cc3n2)cc1)N1CCOCC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LRRK2 Q5S007 5/20 0.52
▸ JAK2 O60674 2/20 0.52
▸ NTRK1 P04629 2/20 0.50
▸ CCNA2 P20248 2/20 0.49
▸ CDK2 P24941 2/20 0.49
▸ CCNT1 O60563 1/20 0.49
▸ CDK1 P06493 1/20 0.49
▸ CDK4 P11802 1/20 0.49
▸ CCND1 P24385 1/20 0.49
▸ CCNE1 P24864 1/20 0.49
▸ CCND3 P30281 1/20 0.49
▸ CDK9 P50750 1/20 0.49
▸ CDK3 Q00526 1/20 0.49
▸ CDK6 Q00534 1/20 0.49
▸ CDK5R1 Q15078 1/20 0.49
▸ MAPK10 P53779 2/20 0.49
▸ PLK4 O00444 1/20 0.45
▸ PTK2 Q05397 1/20 0.45
▸ KIT P10721 1/20 0.43
▸ FLT3 P36888 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
SCHEMBL1633645 0.78 MAP4K1 (0.62) LRRK2JAK2NTRK1CCNA2CDK2
SCHEMBL1632340 0.76 MAPK10 (0.63) LRRK2JAK2NTRK1CCNA2CDK2
SCHEMBL13498313 0.76 LRRK2 (0.50) LRRK2JAK2NTRK1CCNA2CDK2
SCHEMBL1634125 0.76 MAP4K1 (0.53) LRRK2JAK2NTRK1CCNA2CDK2
SCHEMBL1633371 0.76 LRRK2 (0.54) LRRK2JAK2CCNA2CDK2CCNT1
SCHEMBL1633134 0.76 BTK (0.52) LRRK2JAK2NTRK1CCNA2CDK2
SCHEMBL1633843 0.76 MAPK10 (0.54) LRRK2JAK2NTRK1CCNA2CDK2
SCHEMBL1867006 0.76 LRRK2 (0.56) LRRK2JAK2NTRK1CCNA2CDK2
SCHEMBL12724469 0.76 LRRK2 (0.51) LRRK2JAK2NTRK1CCNA2CDK2
SCHEMBL1633748 0.76 FLT3 (0.56) LRRK2JAK2NTRK1CCNA2CDK2

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
US-7932262-B2 Quinazolines for PDK1 inhibition NOVARTIS AG (CH) 2011-04-26 — — US disclosed
US-7932262-B2 Quinazolines for PDK1 inhibition NOVARTIS AG (CH) 2011-04-26 — — US disclosed
US-7932262-B2 Quinazolines for PDK1 inhibition NOVARTIS AG (CH) 2011-04-26 — — US disclosed
US-20100048561-A1 QUINAZOLINES FOR PDK1 INHIBITION NOVARTIS VACCINES & DIAGNOSTICS, INC. (US) 2010-02-25 — — 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-20100048561-A1 QUINAZOLINES FOR PDK1 INHIBITION PDK1, PDK2, PDK3 LRRK2 454/4885JAK2 1352/4885NTRK1 1997/4885

“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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