SCHEMBL18237702

SCHEMBL18237702

CC(C)n1cnc(=O)c2cccnc21

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 2/20 0.52
PDE4B Q07343 2/20 0.52
PDE4C Q08493 2/20 0.52
PDE4D Q08499 2/20 0.52
KDM4E B2RXH2 2/20 0.51
KMT2A Q03164 1/20 0.49
HPGD P15428 3/20 0.43
ALDH1A1 P00352 2/20 0.43
FEN1 P39748 1/20 0.41
CYP2C19 P33261 2/20 0.40
TSHR P16473 1/20 0.40
ACHE P22303 1/20 0.38
TNKS O95271 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
USP5 P45974 1/20 0.38
CCNA2 P20248 2/20 0.38
CDK2 P24941 2/20 0.38
GRM4 Q14833 1/20 0.38
CCNA1 P78396 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
SCHEMBL19130911 0.80 KDM4E (0.36) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL19153190 0.79 KDM4E (0.54) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL14726016 0.77 USP5 (0.42) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL29458571 0.77 USP5 (0.42) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL1106478 0.77 PDE4A (0.43) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL18237559 0.77 ADORA2A (0.47) PDE4APDE4BPDE4CPDE4DKMT2A
SCHEMBL29578184 0.76 PDE4A (0.46) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL19131865 0.76 PDE4A (0.46) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL21142493 0.76 PDE4A (0.49) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL26155651 0.75 KDM4E (0.54) PDE4APDE4BPDE4CPDE4DKDM4E

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 PDE4A 4698/4885PDE4B 4697/4885PDE4C 4709/4885
US-20190290771-A1 SILICON BASED DRUG CONJUGATES AND METHODS OF USING SAME CD44, MSN, AS3MT PDE4A 4698/4885PDE4B 4697/4885PDE4C 4709/4885

“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.