SCHEMBL1632199

SCHEMBL1632199

CC(C)N1CCC(Oc2ccc3cnc(Nc4ccc(C(F)(F)F)cc4)nc3c2)CC1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAP4K1 Q92918 3/20 0.44
SCN9A Q15858 2/20 0.43
EGFR P00533 1/20 0.43
KDR P35968 1/20 0.43
BRAF P15056 1/20 0.42
TRPV1 Q8NER1 1/20 0.42
HRH3 Q9Y5N1 10/20 0.42
CDK4 P11802 1/20 0.39
CCND1 P24385 1/20 0.39
CDK6 Q00534 1/20 0.39

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
SCHEMBL1633226 0.91 MAP4K1 (0.51) MAP4K1SCN9ABRAFHRH3CDK4
SCHEMBL1633193 0.90 EGFR (0.46) MAP4K1SCN9AEGFRBRAF
SCHEMBL1632568 0.90 HRH3 (0.43) MAP4K1HRH3CDK4CCND1CDK6
SCHEMBL1633595 0.88 HRH3 (0.43) MAP4K1SCN9AHRH3CDK4CCND1
SCHEMBL1633930 0.86 HRH3 (0.43) MAP4K1SCN9AHRH3CDK4CCND1
SCHEMBL1633767 0.85 HRH3 (0.53) HRH3
SCHEMBL1633471 0.84 CDK2 (0.47) MAP4K1KDRHRH3CDK4CCND1
SCHEMBL1634487 0.84 HRH3 (0.43) MAP4K1SCN9AHRH3CDK4CCND1
SCHEMBL1634242 0.84 HRH3 (0.44) MAP4K1HRH3CDK4CCND1CDK6
SCHEMBL1632946 0.84 IKBKB (0.45) MAP4K1HRH3CDK4CDK6

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 MAP4K1 48/4885SCN9A 4055/4885EGFR 1774/4885

“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.