SCHEMBL18526499

SCHEMBL18526499

Cc1nccc2[nH]nnc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 2/20 0.40
PDE3A Q14432 2/20 0.40
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 2/20 0.35
CYP1A2 P05177 2/20 0.35
CYP3A4 P08684 2/20 0.35
CYP2D6 P10635 2/20 0.35
HPGD P15428 2/20 0.35
MAOA P21397 2/20 0.35
HSD17B10 Q99714 2/20 0.35
MEN1 O00255 1/20 0.35
GABRP O00591 1/20 0.35
GABRD O14764 1/20 0.35
MAPT P10636 1/20 0.35
GABRA1 P14867 1/20 0.35
TSHR P16473 1/20 0.35
GABRB1 P18505 1/20 0.35
GABRG2 P18507 1/20 0.35
NFKB1 P19838 1/20 0.35
APEX1 P27695 1/20 0.35

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
SCHEMBL400410 0.77 NOS3 (0.34) CDK5CDK5R1DYRK1A
SCHEMBL18490624 0.77 GRM4 (0.32) GRM4
SCHEMBL19131893 0.76 PDE3B (0.30) PDE3BPDE3A
SCHEMBL19153242 0.72 PDE3B (0.40) PDE3BPDE3AKDM4EALDH1A1CYP1A2
SCHEMBL2146747 0.72 KCNMA1 (0.30)
SCHEMBL3132986 0.72 ALDH1A1 (0.32) ALDH1A1MAOAMAPT
SCHEMBL31394511 0.71 KDM4E (0.41) PDE3BPDE3AKDM4EALDH1A1CYP1A2
Hydrochloric Acid SCHEMBL29216762 0.71 MGAM (0.41)
SCHEMBL130593 0.70 MMP12 (0.44) PDE3BPDE3AKDM4EALDH1A1CYP1A2
SCHEMBL107037 0.70 MGAM (0.40)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170202970-A1 SILICON BASED DRUG CONJUGATES AND METHODS OF USING SAME BLINKBIO, INC. 2017-07-20 US disclosed
WO-2017027645-A1 CYCLIC DI-NUCLEOTIDE COMPOUNDS AS STING AGONISTS MERCK SHARP & DOHME CORP. (US) 2017-02-16 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 (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-20170202970-A1 SILICON BASED DRUG CONJUGATES AND METHODS OF USING SAME CD44, MSN, AS3MT PDE3B 4693/4885PDE3A 4572/4885KDM4E 3060/4885

“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.