SCHEMBL5008095

SCHEMBL5008095

CC(C)CN1C(=O)C(C)(C)c2cc(N)ccc21

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.42
PGR P06401 1/20 0.38
GFER P55789 1/20 0.36
ATAD2 Q6PL18 1/20 0.35
AKR1B1 P15121 1/20 0.34
HSPA9 P38646 1/20 0.34
TP53 P04637 2/20 0.32
CNR1 P21554 2/20 0.32
TRPA1 O75762 1/20 0.32
CASP6 P55212 1/20 0.32
FSHR P23945 1/20 0.32
ALDH1A1 P00352 1/20 0.32
ELANE P08246 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32

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
SCHEMBL1368159 0.83 ATAD2 (0.48) CYP19A1PGRGFERATAD2HSPA9
SCHEMBL5007556 0.79 HSPA9 (0.39) ATAD2HSPA9TP53FSHRLMNA
SCHEMBL13233790 0.79 CYP19A1 (0.42) CYP19A1ATAD2HSPA9TP53FSHR
SCHEMBL12659259 0.78 ALDH1A1 (0.46) CYP19A1PGRTP53ALDH1A1MAPT
SCHEMBL12660074 0.78 CYP19A1 (0.37) CYP19A1GFERATAD2AKR1B1
SCHEMBL13233765 0.77 ELANE (0.58) CYP19A1PGRTP53ALDH1A1ELANE
SCHEMBL31251335 0.77 OPRD1 (0.46) CYP19A1ATAD2
SCHEMBL14401638 0.77 PTGDR2 (0.40) ATAD2HSPA9ALDH1A1
SCHEMBL5010350 0.77 ALDH1A1 (0.39) CYP19A1PGRHSPA9FSHRALDH1A1
SCHEMBL5007572 0.75 ALDH1A1 (0.46) ALDH1A1

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-20080318989-A1 Pyrimidine Kinase Inhibitors GENENTECH, INC. 2008-12-25 US disclosed
US-20080318989-A1 Pyrimidine Kinase Inhibitors GENENTECH, INC. 2008-12-25 US disclosed
EP-1968950-A1 PYRIMIDINE KINASE INHIBITORS Genentech, Inc. (US) 2008-09-17 EP disclosed
WO-2007120339-A1 PYRIMIDINE KINASE INHIBITORS GENENTECH, INC. (US) 2007-10-25 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-20080318989-A1 Pyrimidine Kinase Inhibitors DCK, DTYMK, TK1 CYP19A1 3113/4885PGR 1767/4885GFER 4449/4885

“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.