SCHEMBL18239105

SCHEMBL18239105

CC(C)c1cnc2c(n1)NC(=O)C2

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 0.33
AURKA O14965 1/20 0.33
DAPK3 O43293 1/20 0.33
PRKD3 O94806 1/20 0.33
MAP4K4 O95819 1/20 0.33
ABL1 P00519 1/20 0.33
NTRK1 P04629 1/20 0.33
CSF1R P07333 1/20 0.33
RET P07949 1/20 0.33
MET P08581 1/20 0.33
PDGFRB P09619 1/20 0.33
PIM1 P11309 1/20 0.33
FGFR1 P11362 1/20 0.33
PDGFRA P16234 1/20 0.33
FLT1 P17948 1/20 0.33
LTK P29376 1/20 0.33
GRK5 P34947 1/20 0.33
KDR P35968 1/20 0.33
MAP2K2 P36507 1/20 0.33
FLT3 P36888 1/20 0.33

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
SCHEMBL12370009 0.87 CHEK1 (0.36) CHEK1AURKADAPK3PRKD3MAP4K4
SCHEMBL19153792 0.79 SRC (0.39) CHEK1AURKADAPK3PRKD3MAP4K4
SCHEMBL17000123 0.73 BMPR1A (0.33) BMPR1AACVRL1ACVR1KDM5B
SCHEMBL18239104 0.71 PDE3B (0.42) CHEK1AURKADAPK3PRKD3MAP4K4
SCHEMBL15181316 0.69 NNMT (0.30)
SCHEMBL12394683 0.68 KDR (0.40) CHEK1AURKADAPK3PRKD3MAP4K4
SCHEMBL21964248 0.68 AHR (0.35) BMPR1AACVRL1ACVR1MEN1KMT2A
SCHEMBL18238728 0.68 PDE3B (0.42) CHEK1AURKADAPK3PRKD3MAP4K4
SCHEMBL29324758 0.67 TYK2 (0.36) KDM5B
SCHEMBL12120566 0.67 KDM5B (0.30) KDM5B

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-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 CHEK1 628/4885AURKA 720/4885DAPK3 3298/4885
US-20190290771-A1 SILICON BASED DRUG CONJUGATES AND METHODS OF USING SAME CD44, MSN, AS3MT CHEK1 628/4885AURKA 720/4885DAPK3 3298/4885

“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.