SCHEMBL14494366

SCHEMBL14494366

Cc1nccc2c1NC(=O)CC2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 4/20 0.46
PDE3A Q14432 4/20 0.46
NPC1 O15118 2/20 0.39
MAPK13 O15264 1/20 0.39
MAPK12 P53778 1/20 0.39
MAPK11 Q15759 1/20 0.39
MAPK14 Q16539 1/20 0.39
CYP11B1 P15538 6/20 0.38
CYP11B2 P19099 6/20 0.38
CYP19A1 P11511 3/20 0.38
CYP1A2 P05177 2/20 0.38
CRBN Q96SW2 2/20 0.35
CA9 Q16790 1/20 0.35
MAPT P10636 1/20 0.35
MMP12 P39900 1/20 0.35
RAB9A P51151 1/20 0.35
CYP2C9 P11712 1/20 0.34
TBXAS1 P24557 1/20 0.34
PKM P14618 1/20 0.34
KIF11 P52732 1/20 0.34

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
SCHEMBL19153340 0.84 AHR (0.44) PDE3BPDE3ACYP11B1CYP11B2CYP1A2
SCHEMBL18237643 0.78 PDE3B (0.37) PDE3BPDE3ANPC1MAPK13MAPK12
SCHEMBL23508937 0.73 CHRNB2 (0.35) PDE3BPDE3ACYP1A2MAPTMAPK1
SCHEMBL14494399 0.71 PDE3A (0.36) PDE3BPDE3ANPC1MAPK13MAPK12
SCHEMBL22958360 0.71 CYP11B1 (0.40) PDE3BPDE3ANPC1MAPK13MAPK12
SCHEMBL14494423 0.71 PDE3B (0.39) PDE3BPDE3ANPC1MAPK13MAPK12
SCHEMBL30893045 0.70 NPC1 (0.41) PDE3BPDE3ANPC1MAPK13MAPK12
SCHEMBL434004 0.70 NPC1 (0.50) NPC1MAPK13MAPK12MAPK11MAPK14
SCHEMBL19153713 0.70 SRC (0.37) CA9MAPT
SCHEMBL27148030 0.70 NPC1 (0.41) PDE3BPDE3ANPC1MAPK13MAPK12

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
US-7235562-B2 Pyrimidine derivatives for the treatment of abnormal cell growth PFIZER INC (US) 2007-06-26 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-20170202970-A1 SILICON BASED DRUG CONJUGATES AND METHODS OF USING SAME CD44, MSN, AS3MT PDE3B 4693/4885PDE3A 4572/4885NPC1 577/4885

“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.