SCHEMBL1633247

SCHEMBL1633247

CC(C)Oc1cccc2cnc(Nc3ccccn3)nc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 2/20 0.46
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
POLB P06746 1/20 0.44
MCHR1 Q99705 1/20 0.44
JAK2 O60674 1/20 0.43
JAK1 P23458 1/20 0.43
TYK2 P29597 1/20 0.43
JAK3 P52333 1/20 0.43
CDK4 P11802 6/20 0.41
CCND1 P24385 6/20 0.41
CDK2 P24941 5/20 0.41
CCNA2 P20248 3/20 0.41
CDK1 P06493 3/20 0.41
CCNB1 P14635 3/20 0.41
CCNA1 P78396 2/20 0.41
CCND3 P30281 3/20 0.41
CDK6 Q00534 2/20 0.41
CCNE1 P24864 2/20 0.41
CCNK O75909 1/20 0.41

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
SCHEMBL1632891 0.80 JAK2 (0.48) GRM5KMT2AMEN1POLBMCHR1
SCHEMBL1633369 0.78 NNMT (0.43) MCHR1JAK2JAK1TYK2JAK3
SCHEMBL1633395 0.75 CDK2 (0.49) JAK2JAK1TYK2JAK3CDK4
SCHEMBL1632814 0.74 CDK2 (0.52) JAK2JAK1TYK2JAK3CDK4
SCHEMBL1633421 0.74 MAP3K5 (0.49) KMT2AMEN1POLBJAK2JAK1
SCHEMBL1634282 0.73 ACVR1 (0.52) JAK2JAK1TYK2JAK3CDK2
SCHEMBL1631342 0.73 CDK2 (0.45) MCHR1JAK2JAK1TYK2JAK3
SCHEMBL1634323 0.73 JAK2 (0.47) MCHR1JAK2JAK1TYK2JAK3
SCHEMBL1633381 0.72 PTK2 (0.54) JAK2JAK1TYK2JAK3CDK2
SCHEMBL1634286 0.72 AURKA (0.53) JAK2JAK1TYK2JAK3CDK4

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 GRM5 2527/4885KMT2A 1044/4885MEN1 1891/4885

“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.