SCHEMBL5700540

SCHEMBL5700540

C=C(C)c1cncc(Cl)c1

nearest known ligand 0.55

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 1/20 0.55
SMYD3 Q9H7B4 1/20 0.41
MKNK1 Q9BUB5 1/20 0.37
MKNK2 Q9HBH9 1/20 0.37
CHRNB2 P17787 1/20 0.33
CHRNA4 P43681 1/20 0.33

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
SCHEMBL1651203 0.78 HCAR2 (0.67) HCAR2SMYD3MKNK1MKNK2
SCHEMBL13130693 0.78 HCAR2 (0.55) HCAR2SMYD3MKNK1MKNK2CHRNB2
SCHEMBL17321843 0.76 HCAR2 (0.57) HCAR2SMYD3MKNK1MKNK2
SCHEMBL14395549 0.75 HCAR2 (0.52) HCAR2SMYD3MKNK1MKNK2
SCHEMBL747240 0.74 POLB (0.55) HCAR2SMYD3
SCHEMBL15047255 0.74 HCAR2 (0.55) HCAR2
SCHEMBL5700309 0.74 HCAR2 (0.32) HCAR2CHRNB2CHRNA4
SCHEMBL573416 0.74 LMNA (0.55) HCAR2MKNK1MKNK2
SCHEMBL3509681 0.74 MKNK1 (0.47) HCAR2MKNK1MKNK2
SCHEMBL15400735 0.74 POLB (0.55) HCAR2SMYD3

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
US-8563732-B2 Oxyimino compounds and the use thereof SHIONOGI & CO., LTD. (JP) 2013-10-22 US 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 HCAR2 3697/4885SMYD3 3029/4885MKNK1 744/4885

“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.