SCHEMBL18239104

SCHEMBL18239104

CC(C)c1ccc2c(n1)NC(=O)C2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 3/20 0.42
PDE3A Q14432 3/20 0.42
CHEK1 O14757 1/20 0.37
AURKA O14965 1/20 0.37
DAPK3 O43293 1/20 0.37
PRKD3 O94806 1/20 0.37
MAP4K4 O95819 1/20 0.37
ABL1 P00519 1/20 0.37
NTRK1 P04629 1/20 0.37
CSF1R P07333 1/20 0.37
RET P07949 1/20 0.37
MET P08581 1/20 0.37
PDGFRB P09619 1/20 0.37
PIM1 P11309 1/20 0.37
FGFR1 P11362 1/20 0.37
PDGFRA P16234 1/20 0.37
FLT1 P17948 1/20 0.37
LTK P29376 1/20 0.37
GRK5 P34947 1/20 0.37
KDR P35968 1/20 0.37

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
SCHEMBL13111251 0.85 PDE3B (0.43) PDE3BPDE3AIDH1KDM5B
SCHEMBL31220098 0.77 AHR (0.46) PDE3BPDE3ACHEK1AURKADAPK3
SCHEMBL12680338 0.77 PDE3B (0.49) PDE3BPDE3ACHEK1AURKADAPK3
SCHEMBL24221621 0.76 PDE3B (0.40) PDE3BPDE3ACHEK1AURKADAPK3
SCHEMBL15864623 0.74 PDE3B (0.34) PDE3BPDE3ACHEK1AURKADAPK3
SCHEMBL18237664 0.73 TYK2 (0.35) AHRCMA1
SCHEMBL657872 0.73 AHR (0.46) PDE3BPDE3ACHEK1AURKADAPK3
SCHEMBL30847568 0.73 AHR (0.46) PDE3BPDE3ACHEK1AURKADAPK3
SCHEMBL19153232 0.72 PDE3B (0.42) PDE3BPDE3ACHEK1AURKADAPK3
SCHEMBL21964248 0.72 AHR (0.35) PDE3BPDE3ABMPR1AACVRL1ACVR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021194914-A1 SUBSTITUTED OXOISOINDOLINE COMPOUNDS FOR THE TREATMENT OF CANCER BRISTOL-MYERS SQUIBB COMPANY (US) 2021-09-30 WO disclosed
US-20190290771-A1 SILICON BASED DRUG CONJUGATES AND METHODS OF USING SAME BLINKBIO, INC. 2019-09-26 US disclosed
US-9931407-B2 Silicon based drug conjugates and methods of using same BLINKBIO, INC. (US) 2018-04-03 US disclosed
US-20170202970-A1 SILICON BASED DRUG CONJUGATES AND METHODS OF USING SAME BLINKBIO, INC. 2017-07-20 US disclosed
WO-2016183359-A1 SILICON BASED DRUG CONJUGATES AND METHODS OF USING SAME BLINKBIO, INC. (US) 2016-11-17 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 (2 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-20170202970-A1 SILICON BASED DRUG CONJUGATES AND METHODS OF USING SAME CD44, MSN, AS3MT PDE3B 4693/4885PDE3A 4572/4885CHEK1 628/4885
US-20190290771-A1 SILICON BASED DRUG CONJUGATES AND METHODS OF USING SAME CD44, MSN, AS3MT PDE3B 4693/4885PDE3A 4572/4885CHEK1 628/4885

“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.