SCHEMBL23344920

SCHEMBL23344920

CC(C)(C)c1cccc(-c2ccccc2CN)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 2/20 0.56
KIF11 P52732 1/20 0.45
PTPN5 P54829 2/20 0.43
NOS3 P29474 1/20 0.42
NOS1 P29475 1/20 0.42
NOS2 P35228 1/20 0.42
ADRA2C P18825 1/20 0.41
RXRA P19793 1/20 0.41
RXRB P28702 1/20 0.41
PRKCQ Q04759 2/20 0.39
NPC1 O15118 1/20 0.39
ALDH1A1 P00352 1/20 0.39
PLA2G1B P04054 1/20 0.39
NFKB1 P19838 1/20 0.39
CASP3 P42574 1/20 0.39
RAB9A P51151 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
SENP8 Q96LD8 1/20 0.39
SENP7 Q9BQF6 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
SCHEMBL16378745 0.87 ADRA2C (0.56) DPP4KIF11PTPN5ADRA2CRXRA
SCHEMBL15863720 0.83 DPP4 (0.56) DPP4KIF11PTPN5HTR7TAAR1
SCHEMBL23995708 0.83 DPP4 (0.49) DPP4PTPN5NOS3NOS1NOS2
SCHEMBL13524539 0.81 CYP1A2 (0.58) KIF11PTPN5ALDH1A1PTAFRHTR7
SCHEMBL25094674 0.81 LTA4H (0.43) KIF11PTPN5ADRA2CRXRARXRB
SCHEMBL25093374 0.81 KIF11 (0.42) KIF11PTPN5RXRARXRBNPC1
SCHEMBL25094234 0.78 TACR1 (0.45) KIF11PTPN5RXRARXRBNPC1
SCHEMBL3398445 0.77 ALDH1A1 (0.52) KIF11PTPN5RXRARXRBNPC1
SCHEMBL3787422 0.77 DPP4 (0.62) DPP4NOS3NOS1NOS2ADRA2C
SCHEMBL31115680 0.77 KIF11 (0.52) KIF11PTPN5RXRARXRBNPC1

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-20210139517-A1 BICYCLIC HETEROARYL COMPOUNDS AND USES THEREOF Revolution Medicines, Inc. 2021-05-13 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-20210139517-A1 BICYCLIC HETEROARYL COMPOUNDS AND USES THEREOF SOST, SOS1, SOS2 DPP4 2835/4885KIF11 4867/4885PTPN5 883/4885

“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.