SCHEMBL3472453

SCHEMBL3472453

COc1cc2nc(SC(C)C)nc(-c3ccc(C(C)C)cc3)c2cc1OC

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
WHR1 P49842 2/20 0.47
PDE4A P27815 3/20 0.43
PDE4D Q08499 3/20 0.43
CASR P41180 4/20 0.41
FGFR2 P21802 1/20 0.39
PDE3B Q13370 1/20 0.39
PDE3A Q14432 1/20 0.39
EGFR P00533 2/20 0.38
ERBB2 P04626 1/20 0.38
SLC2A1 P11166 1/20 0.36
KRAS P01116 1/20 0.36
SOS1 Q07889 1/20 0.36
NTSR1 P30989 1/20 0.36
ABCB1 P08183 1/20 0.36
PDE1B Q01064 1/20 0.36
KDM4E B2RXH2 1/20 0.35
POLB P06746 1/20 0.35
MAPT P10636 1/20 0.35

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
SCHEMBL3469902 0.82 WHR1 (0.51) WHR1PDE4APDE4DCASRFGFR2
SCHEMBL3471427 0.82 WHR1 (0.51) WHR1PDE4APDE4DCASRFGFR2
SCHEMBL3472098 0.82 PDE4A (0.62) WHR1PDE4APDE4DCASRFGFR2
SCHEMBL3470966 0.81 WHR1 (0.50) WHR1PDE4APDE4DCASRFGFR2
SCHEMBL13618988 0.79 PDE10A (0.42) WHR1PDE4APDE4DCASRFGFR2
SCHEMBL3470056 0.79 ERBB2 (0.48) WHR1PDE4APDE4DEGFRERBB2
SCHEMBL3471534 0.79 PDE4A (0.52) WHR1PDE4APDE4DCASRFGFR2
SCHEMBL3470198 0.78 KRAS (0.47) WHR1PDE4APDE4DCASRFGFR2
SCHEMBL3470960 0.76 WHR1 (0.45) WHR1PDE4APDE4DCASRFGFR2
SCHEMBL3469777 0.75 WHR1 (0.53) WHR1PDE4APDE4DCASRFGFR2

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8476286-B2 for promoting the release of parathyroid hormone, e.g. for preventing or treating bone conditions which are associated with increased calcium depletion or resorption or in which stimulation of bone formation and calcium fixation in the bone is desirable NOVARTIS AG (CH) 2013-07-02 US disclosed
US-8476286-B2 for promoting the release of parathyroid hormone, e.g. for preventing or treating bone conditions which are associated with increased calcium depletion or resorption or in which stimulation of bone formation and calcium fixation in the bone is desirable NOVARTIS AG (CH) 2013-07-02 US disclosed
US-8476286-B2 for promoting the release of parathyroid hormone, e.g. for preventing or treating bone conditions which are associated with increased calcium depletion or resorption or in which stimulation of bone formation and calcium fixation in the bone is desirable NOVARTIS AG (CH) 2013-07-02 US disclosed
EP-2191832-A1 QUINAZOLINE DERIVATIVES WHICH PROMOTE THE RELEASE OF PARATHYROID HORMONE Novartis AG (CH) 2010-06-02 EP disclosed
EP-2191832-A1 QUINAZOLINE DERIVATIVES WHICH PROMOTE THE RELEASE OF PARATHYROID HORMONE Novartis AG (CH) 2010-06-02 EP disclosed
EP-1401451-B1 QUINAZOLINE DERIVATIVES WHICH PROMOTE THE RELEASE OF PARATHYROID HORMONE NOVARTIS AG (CH) 2009-11-11 EP disclosed
US-20040180912-A1 Quinazoline derivatives NOVARTIS AG (CH) 2004-09-16 US disclosed
EP-1401451-A2 QUINAZOLINE DERIVATIVES WHICH PROMOTE THE RELEASE OF PARATHYROID HORMONE Novartis AG (CH) 2004-03-31 EP disclosed
WO-2002102782-A2 QUINAZOLINE DERIVATIVES which PROMOTE THE RELEASE OF PARATHYROID_HORMONE NOVARTIS AG (CH) 2002-12-27 WO 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-20040180912-A1 Quinazoline derivatives PTH1R, PTMS, CALCA WHR1 4375/4885PDE4A 350/4885PDE4D 328/4885

“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.