SCHEMBL2465716

SCHEMBL2465716

Cc1ccc(-c2cc3cnc(Cl)nc3n2CC2CCCN(C(=O)OC(C)(C)C)C2)c(Cl)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FEN1 P39748 2/20 0.41
ALOX5AP P20292 1/20 0.40
IRAK1 P51617 1/20 0.39
CYP2C9 P11712 1/20 0.39
KAT6A Q92794 1/20 0.39
KAT5 Q92993 1/20 0.39
P2RX3 P56373 1/20 0.39
P2RX2 Q9UBL9 1/20 0.39
CCNT1 O60563 1/20 0.38
CDK9 P50750 1/20 0.38
FNTA P49354 1/20 0.38
FNTB P49356 1/20 0.38
CHEK2 O96017 1/20 0.38
ACKR3 P25106 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
CNR1 P21554 2/20 0.36
LMNA P02545 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
PIK3CD O00329 2/20 0.36
TP53 P04637 1/20 0.36

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
SCHEMBL2465719 1.00 FEN1 (0.41) FEN1ALOX5APIRAK1CYP2C9KAT6A
SCHEMBL2456779 0.94 FNTA (0.43) FEN1ALOX5APIRAK1CYP2C9CCNT1
SCHEMBL2456782 0.94 FNTA (0.43) FEN1ALOX5APIRAK1CYP2C9CCNT1
SCHEMBL2465419 0.91 CHEK2 (0.43) FEN1ALOX5APIRAK1CYP2C9CCNT1
SCHEMBL2465420 0.91 CHEK2 (0.43) FEN1ALOX5APIRAK1CYP2C9CCNT1
SCHEMBL2462554 0.91 IRAK1 (0.42) FEN1ALOX5APIRAK1CYP2C9CCNT1
SCHEMBL2460169 0.91 IRAK1 (0.42) FEN1ALOX5APIRAK1CYP2C9CCNT1
SCHEMBL2460173 0.91 IRAK1 (0.42) FEN1ALOX5APIRAK1CYP2C9CCNT1
SCHEMBL2461542 0.86 FEN1 (0.42) FEN1ALOX5APIRAK1CYP2C9KAT6A
SCHEMBL2461546 0.86 FEN1 (0.42) FEN1ALOX5APIRAK1CYP2C9KAT6A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110218189-A1 PYRROLO[2,3-d]PYRIMIDIN-2-YL-AMINE DERIVATIVES AS PKC-THETA INHIBITORS N.V. ORGANON (NL) 2011-09-08 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-20110218189-A1 PYRROLO[2,3-d]PYRIMIDIN-2-YL-AMINE DERIVATIVES AS PKC-THETA INHIBITORS PRKCZ, PRKCQ, PRKCD FEN1 3602/4885ALOX5AP 2869/4885IRAK1 1527/4885

“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.