SCHEMBL1633410

SCHEMBL1633410

Clc1cc(Nc2ncc3c(Cl)ccc(OC4CCNCC4)c3n2)ccc1N1CCOCC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 4/20 0.52
CDK4 P11802 3/20 0.46
CCND1 P24385 3/20 0.46
CCND2 P30279 1/20 0.46
CCND3 P30281 1/20 0.46
JAK2 O60674 7/20 0.44
JAK3 P52333 3/20 0.44
JAK1 P23458 1/20 0.44
TYK2 P29597 1/20 0.44
TBK1 Q9UHD2 5/20 0.43
MAPK8 P45983 4/20 0.43
LRRK2 Q5S007 4/20 0.43
MAPK9 P45984 3/20 0.43
PAK4 O96013 3/20 0.43
ABL1 P00519 3/20 0.43
RET P07949 3/20 0.43
LTK P29376 3/20 0.43
MAP2K1 Q02750 3/20 0.43
MST1R Q04912 3/20 0.43
PTK2 Q05397 3/20 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
SCHEMBL1633931 0.94 CDK4 (0.52) SYKCDK4CCND1JAK2JAK3
SCHEMBL1633870 0.93 SYK (0.50) SYKCDK4CCND1CCND2CCND3
SCHEMBL1633537 0.93 SYK (0.50) SYKCDK4CCND1CCND2CCND3
SCHEMBL1634818 0.91 SYK (0.47) SYKCDK4CCND1CCND2CCND3
SCHEMBL1634274 0.91 CDK4 (0.51) SYKCDK4CCND1JAK2JAK3
SCHEMBL1633182 0.88 JAK2 (0.54) SYKJAK2JAK3JAK1TYK2
SCHEMBL1632096 0.88 JAK2 (0.59) SYKCDK4CCND1CCND2CCND3
SCHEMBL1634544 0.86 LRRK2 (0.46) SYKJAK2JAK3JAK1TYK2
SCHEMBL12724963 0.85 CDK4 (0.49) SYKCDK4CCND1JAK2JAK3
SCHEMBL1632896 0.85 MAPK9 (0.49) SYKCDK4CCND1JAK2JAK3

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 SYK 4204/4885CDK4 24/4885CCND1 618/4885

“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.