SCHEMBL22797733

SCHEMBL22797733

CCc1cccc2c(=O)n(C)ccc12

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.54
LMNA P02545 2/20 0.45
MET P08581 1/20 0.44
NPEPPS P55786 2/20 0.43
PTPN1 P18031 1/20 0.42
TP53 P04637 2/20 0.42
MAPT P10636 2/20 0.41
GRM2 Q14416 1/20 0.41
BRD4 O60885 3/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
POLB P06746 1/20 0.40
MTNR1A P48039 1/20 0.39
MTNR1B P49286 1/20 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
SCHEMBL23935898 0.84 GAA (0.50) GAALMNAMETTP53MAPT
SCHEMBL23935866 0.80 GRM2 (0.46) LMNAMETNPEPPSMAPTGRM2
SCHEMBL18379277 0.77 TDP1 (0.39) GAANPEPPSGRM2TDP1L3MBTL1
SCHEMBL8739002 0.77 MAPT (0.46) GAALMNANPEPPSPTPN1MAPT
SCHEMBL13979671 0.77 BRD4 (0.56) MAPTBRD4TDP1L3MBTL1
SCHEMBL13833580 0.77 GAA (0.57) GAALMNAPTPN1TP53MAPT
SCHEMBL3238496 0.77 GABRA1 (0.57) LMNANPEPPS
SCHEMBL18379974 0.76 PTGS2 (0.45) GAANPEPPSGRM2TDP1L3MBTL1
SCHEMBL8063482 0.76 GAA (0.56) GAALMNAMETPTPN1TP53
SCHEMBL5140683 0.76 GAA (0.56) GAALMNAPTPN1TP53MAPT

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
EP-3456717-B1 4,6-DIAMINO-QUINOLINE-3-CARBONITRILE DERIVATIVE AS CANCER OSAKA THYROID (COT) MODULATOR FOR TREATING INFLAMMATORY DISEASE GILEAD SCIENCES INC (US) 2021-03-17 EP disclosed
US-20200392170-A1 COT MODULATORS AND METHODS OF USE THEREOF GILEAD SCIENCES, INC. 2020-12-17 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-20200392170-A1 COT MODULATORS AND METHODS OF USE THEREOF BRDT, THRB, HCCS GAA 4381/4885LMNA 3781/4885MET 242/4885

“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.