SCHEMBL22340243

SCHEMBL22340243

CC(C)(C)c1ccc(C(=O)/C(C#N)=N/Nc2ccccc2)cc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAPGEF3 O95398 13/20 0.74
RAPGEF4 Q8WZA2 9/20 0.74
MAPT P10636 6/20 0.62
HTT P42858 5/20 0.62
SMN1; SMN2 Q16637 5/20 0.62
LMNA P02545 3/20 0.62
ALOX12 P18054 1/20 0.62
NPY1R P25929 1/20 0.62
NPY2R P49146 1/20 0.62
NPSR1 Q6W5P4 1/20 0.62
MEN1 O00255 4/20 0.58
KMT2A Q03164 4/20 0.58
HPGD P15428 1/20 0.55
CRHBP P24387 1/20 0.55
CRHR2 Q13324 1/20 0.55
MAPK1 P28482 2/20 0.49
NPC1 O15118 1/20 0.49
MITF O75030 1/20 0.49
ALDH1A1 P00352 1/20 0.49
RAB9A P51151 1/20 0.49

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
SCHEMBL922713 0.86 MAPT (0.81) RAPGEF3RAPGEF4MAPTHTTSMN1; SMN2
SCHEMBL922712 0.86 MAPT (0.81) RAPGEF3RAPGEF4MAPTHTTSMN1; SMN2
SCHEMBL20523642 0.86 RAPGEF3 (1.00) RAPGEF3RAPGEF4MAPTHTTSMN1; SMN2
SCHEMBL20523638 0.84 RAPGEF3 (1.00) RAPGEF3RAPGEF4MAPTHTTSMN1; SMN2
SCHEMBL20523678 0.83 RAPGEF3 (1.00) RAPGEF3RAPGEF4MAPTNPSR1
SCHEMBL20523696 0.83 RAPGEF3 (1.00) RAPGEF3RAPGEF4
SCHEMBL20523759 0.83 RAPGEF3 (1.00) RAPGEF3RAPGEF4MAPTHTTSMN1; SMN2
SCHEMBL20523682 0.79 RAPGEF3 (1.00) RAPGEF3RAPGEF4MAPTHTTSMN1; SMN2
SCHEMBL20523659 0.79 RAPGEF3 (1.00) RAPGEF3RAPGEF4MAPTHTTSMN1; SMN2
SCHEMBL20523703 0.78 RAPGEF3 (1.00) RAPGEF3RAPGEF4

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-11124489-B2 EPAC antagonists BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2021-09-21 US disclosed
US-20200255388-A1 EPAC ANTAGONISTS THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2020-08-13 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 (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-20200255388-A1 EPAC ANTAGONISTS EPAS1, GPR139, CRACR2A RAPGEF3 5/4885RAPGEF4 7/4885MAPT 4650/4885
US-11124489-B2 EPAC antagonists EPAS1, GPR139, CRACR2A RAPGEF3 5/4885RAPGEF4 7/4885MAPT 4650/4885

“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.