SCHEMBL5700526

SCHEMBL5700526

Ic1cnccc1-c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNF P01375 1/20 0.48
RPS6KA3 P51812 4/20 0.47
FGFR1 P11362 2/20 0.47
PRKACA P17612 2/20 0.47
AURKA O14965 1/20 0.47
CDK1 P06493 1/20 0.47
LYN P07948 1/20 0.47
PIM1 P11309 1/20 0.47
RPS6KB1 P23443 1/20 0.47
CDK2 P24941 1/20 0.47
MARK3 P27448 1/20 0.47
AKT1 P31749 1/20 0.47
GSK3B P49841 1/20 0.47
PRKCZ Q05513 1/20 0.47
PRKCD Q05655 1/20 0.47
ERBB4 Q15303 1/20 0.47
CDC42BPA Q5VT25 1/20 0.47
MARK2 Q7KZI7 1/20 0.47
AKT3 Q9Y243 1/20 0.47
NOTUM Q6P988 1/20 0.46

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
SCHEMBL334755 0.85 CYP2A6 (0.56) GSK3BCYP1A2CYP3A4CYP2A6CYP2E1
SCHEMBL5700034 0.83 TNF (0.48) TNFRPS6KA3FGFR1PRKACAAURKA
SCHEMBL21692148 0.79 RPS6KA3 (0.59) TNFRPS6KA3FGFR1PRKACAAURKA
SCHEMBL21692174 0.79 RPS6KA3 (0.59) TNFRPS6KA3FGFR1PRKACAAURKA
SCHEMBL8716812 0.79 RPS6KA3 (0.65) TNFRPS6KA3FGFR1PRKACAAURKA
SCHEMBL22516663 0.79 RPS6KA3 (0.49) RPS6KA3CDK1GSK3BALDH1A1SLC22A12
SCHEMBL12854064 0.76 RPS6KA3 (0.56) TNFRPS6KA3FGFR1PRKACAAURKA
SCHEMBL12854062 0.76 RPS6KA3 (0.56) TNFRPS6KA3FGFR1PRKACAAURKA
SCHEMBL11594351 0.75 CYP2A6 (0.58) TNFRPS6KA3FGFR1PRKACAAURKA
SCHEMBL9169968 0.74 GRM4 (0.60) TNFRPS6KA3AKT1NOTUMCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3663283-B1 CONDENSED CYCLIC COMPOUND, COMPOSITION INCLUDING THE SAME, AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THIN FILM FORMED FROM THE COMPOSITION SAMSUNG DISPLAY CO LTD (KR) 2021-11-03 EP disclosed
EP-1270582-B1 TRIPHENYLPHOSPHINE DERIVATIVES, PALLADIUM OR NICKEL COMPLEXES THEREOF, AND PROCESS FOR PREPARING BIARYL DERIVATIVES MITSUBISHI RAYON CO (JP) 2006-08-30 EP disclosed
US-6693210-B2 USING PALLADIUM, NICKEL PHOSPHINE COMPLEX AS CATALYSTS MITSUBISHI RAYON CO., LTD. (JP) 2004-02-17 US disclosed
US-20030065208-A1 Using palladium, nickel phosphine complex as catalysts MITSUBISHI RAYON CO., LTD. (JP) 2003-04-03 US disclosed
EP-1270582-A1 TRIPHENYLPHOSPHINE DERIVATIVE, PRODUCTION PROCESS THEREFOR, PALLADIUM COMPLEX THEREOF, AND PROCESS FOR PRODUCING BIARYL DERIVATIVE Mitsubishi Rayon Co., Ltd. (JP) 2003-01-02 EP 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-20030065208-A1 Using palladium, nickel phosphine complex as catalysts PDCD1LG2, PIK3CA, PDCD1 TNF 3655/4885RPS6KA3 2658/4885FGFR1 695/4885

“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.