SCHEMBL2460169

SCHEMBL2460169

CC(C)(C)OC(=O)N1CCCC(Cn2c(-c3ccccc3Cl)cc3cnc(Cl)nc32)C1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
IRAK1 P51617 1/20 0.42
FEN1 P39748 2/20 0.42
ACKR3 P25106 1/20 0.41
CYP2C9 P11712 1/20 0.40
FNTA P49354 1/20 0.40
FNTB P49356 1/20 0.40
HTR6 P50406 4/20 0.39
BCHE P06276 2/20 0.39
CNR1 P21554 2/20 0.39
CNR2 P34972 2/20 0.39
CCNT1 O60563 1/20 0.39
CDK9 P50750 1/20 0.39
ALOX5AP P20292 1/20 0.39
HPGDS O60760 1/20 0.39
CHEK2 O96017 1/20 0.39
KDM1A O60341 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL2462554 1.00 IRAK1 (0.42) IRAK1FEN1ACKR3CYP2C9FNTA
SCHEMBL2460173 1.00 IRAK1 (0.42) IRAK1FEN1ACKR3CYP2C9FNTA
SCHEMBL2460139 0.95 CCNT1 (0.43) FEN1CNR1CNR2CCNT1CDK9
SCHEMBL2461548 0.95 CCNT1 (0.43) FEN1CNR1CNR2CCNT1CDK9
SCHEMBL2460141 0.95 CCNT1 (0.43) FEN1CNR1CNR2CCNT1CDK9
SCHEMBL2461546 0.93 FEN1 (0.42) IRAK1FEN1ACKR3CYP2C9FNTA
SCHEMBL2461542 0.93 FEN1 (0.42) IRAK1FEN1ACKR3CYP2C9FNTA
SCHEMBL2456782 0.92 FNTA (0.43) IRAK1FEN1ACKR3CYP2C9FNTA
SCHEMBL2456779 0.92 FNTA (0.43) IRAK1FEN1ACKR3CYP2C9FNTA
SCHEMBL2465716 0.91 FEN1 (0.41) IRAK1FEN1ACKR3CYP2C9FNTA

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 IRAK1 1527/4885FEN1 3602/4885ACKR3 977/4885

“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.