SCHEMBL14494367

SCHEMBL14494367

Cc1cc2c(cn1)CCC(=O)N2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA9 Q16790 1/20 0.46
NPC1 O15118 2/20 0.43
MAPK13 O15264 1/20 0.43
MAPK12 P53778 1/20 0.43
MAPK11 Q15759 1/20 0.43
MAPK14 Q16539 1/20 0.43
CYP11B1 P15538 5/20 0.41
CYP11B2 P19099 5/20 0.41
CYP19A1 P11511 3/20 0.41
MAPK1 P28482 1/20 0.41
MAPT P10636 1/20 0.40
MMP12 P39900 1/20 0.40
RAB9A P51151 1/20 0.40
CYP1A2 P05177 2/20 0.40
CYP2C9 P11712 1/20 0.40
TBXAS1 P24557 1/20 0.40
PDE3B Q13370 1/20 0.40
PDE3A Q14432 1/20 0.40
MAOB P27338 8/20 0.39
MAOA P21397 7/20 0.39

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
SCHEMBL14494371 0.86 CYP11B1 (0.47) CA9NPC1MAPK13MAPK12MAPK11
SCHEMBL19153946 0.84 AHR (0.44) CYP11B1CYP11B2MAPK1CYP1A2PDE3B
SCHEMBL26604966 0.79 CYP11B1 (0.48) CA9NPC1MAPK13MAPK12MAPK11
SCHEMBL5372273 0.79 CA9 (0.46) CA9NPC1MAPK13MAPK12MAPK11
SCHEMBL30993146 0.78 CYP11B1 (0.46) CA9NPC1MAPK13MAPK12MAPK11
SCHEMBL18237966 0.78 CA9 (0.42) CA9NPC1MAPK13MAPK12MAPK11
SCHEMBL25463086 0.75 CHRNB2 (0.36) CYP11B1CYP11B2CYP19A1MAPK1MAPT
SCHEMBL19300087 0.73 PDE3B (0.47) CYP11B1CYP11B2CYP1A2PDE3BPDE3A
Acetic Acid SCHEMBL26604909 0.72 CYP11B1 (0.44) CA9CYP11B1CYP11B2CYP19A1CYP1A2
SCHEMBL12134365 0.72 DRD2 (0.37) MAPTCYP1A2

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 CA9 32/4885NPC1 577/4885MAPK13 4373/4885

“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.