SCHEMBL1867006

SCHEMBL1867006

C#Cc1ccc2nc(Nc3ccc(C(=O)N4CCOCC4)cc3)ncc2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 6/20 0.56
JAK2 O60674 3/20 0.56
MAPK10 P53779 1/20 0.51
CCNA2 P20248 2/20 0.50
CDK2 P24941 2/20 0.50
CCNT1 O60563 1/20 0.50
CDK1 P06493 1/20 0.50
CDK4 P11802 1/20 0.50
CCND1 P24385 1/20 0.50
CCNE1 P24864 1/20 0.50
CCND3 P30281 1/20 0.50
CDK9 P50750 1/20 0.50
CDK3 Q00526 1/20 0.50
CDK6 Q00534 1/20 0.50
CDK5R1 Q15078 1/20 0.50
NTRK1 P04629 1/20 0.49
PLK4 O00444 1/20 0.48
PTK2 Q05397 1/20 0.47
KIT P10721 1/20 0.46
FLT3 P36888 1/20 0.46

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
SCHEMBL3503540 0.83 MAPK10 (0.54) JAK2MAPK10CCNA2CDK2CDK1
SCHEMBL1867038 0.82 LRRK2 (0.53) LRRK2JAK2MAPK10
SCHEMBL13251780 0.80 LRRK2 (0.55) LRRK2JAK2MAPK10CCNA2CDK2
SCHEMBL1571190 0.80 LRRK2 (0.58) LRRK2JAK2MAPK10CCNA2CDK2
SCHEMBL1863994 0.80 AURKA (0.47) JAK2MAPK10CCNA2CDK2CCNT1
SCHEMBL3502715 0.79 SYK (0.54) MAPK10SYK
SCHEMBL13336312 0.77 CSF1R (0.41) JAK2CDK1NTRK1JAK3SYK
SCHEMBL1633593 0.76 MAPK10 (0.46) LRRK2JAK2MAPK10CCNA2CDK2
SCHEMBL12725013 0.76 LRRK2 (0.46) LRRK2JAK2MAPK10CCNA2CDK2
SCHEMBL1870735 0.76 CCNT1 (0.55) JAK2MAPK10CCNA2CDK2CCNT1

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
WO-2008079988-A9 QUINAZOLINES FOR PDK1 INHIBITION NOVARTIS AG (CH) 2011-05-12 WO claimed
US-20100216767-A1 QUINAZOLINES FOR PDK1 INHIBITION AIKAWA MINA 2010-08-26 US claimed
WO-2008079988-A9 QUINAZOLINES FOR PDK1 INHIBITION NOVARTIS AG (CH) 2011-05-12 WO disclosed
US-20100216767-A1 QUINAZOLINES FOR PDK1 INHIBITION AIKAWA MINA 2010-08-26 US disclosed
US-20100216767-A1 QUINAZOLINES FOR PDK1 INHIBITION AIKAWA MINA 2010-08-26 US 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

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 LRRK2 399/4885JAK2 1361/4885MAPK10 338/4885
US-20100121052-A1 Novel compounds for treating proliferative diseases PDK1, PDK2, PDK3 LRRK2 576/4885JAK2 1056/4885MAPK10 202/4885

“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.