SCHEMBL1633941

SCHEMBL1633941

O=C(c1ccc(Nc2ncc3cc(-c4nccs4)c(OC4CCNCC4)cc3n2)cc1)N1CCOCC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 9/20 0.43
CCNA2 P20248 3/20 0.43
CDK2 P24941 3/20 0.43
CCNT1 O60563 2/20 0.43
CDK1 P06493 2/20 0.43
CDK4 P11802 2/20 0.43
CCND1 P24385 2/20 0.43
CCNE1 P24864 2/20 0.43
CCND3 P30281 2/20 0.43
CDK9 P50750 2/20 0.43
CDK3 Q00526 2/20 0.43
CDK6 Q00534 2/20 0.43
CDK5R1 Q15078 2/20 0.43
JAK2 O60674 2/20 0.43
MAPK10 P53779 2/20 0.42
BTK Q06187 1/20 0.41
JUN P05412 1/20 0.40
MAPK8 P45983 1/20 0.40
IRAK4 Q9NWZ3 2/20 0.40
ALK Q9UM73 1/20 0.40

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
SCHEMBL1633436 0.88 MAPK10 (0.50) LRRK2CCNA2CDK2CDK1CDK4
SCHEMBL1634987 0.85 MAPK10 (0.50) LRRK2CCNA2CDK2CCNT1CDK1
SCHEMBL1633627 0.84 LRRK2 (0.49) LRRK2CCNA2CDK2CCNT1CDK1
SCHEMBL1633459 0.83 SYK (0.46) LRRK2JAK2MAPK10JUNMAPK8
SCHEMBL12725013 0.83 LRRK2 (0.46) LRRK2CCNA2CDK2CCNT1CDK1
SCHEMBL1633770 0.83 TBK1 (0.52) LRRK2JAK2
SCHEMBL13336215 0.82 BRAF (0.41) JAK2MAPK10JUNMAPK8SYK
SCHEMBL1633276 0.82 EGFR (0.50) LRRK2CDK2CDK4CCND1CCNE1
SCHEMBL13336105 0.81 BRAF (0.48) IRAK4SYK
SCHEMBL1636472 0.81 LRRK2 (0.49) LRRK2CCNA2CDK2CCNT1CDK1

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 454/4885CCNA2 731/4885CDK2 29/4885

“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.