SCHEMBL17661756

SCHEMBL17661756

Nc1cc(Oc2cccc(-c3nnc(Nc4cccc(C(F)(F)F)c4)o3)c2)c2ccccc2n1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 3/20 0.47
▸ ABCG2 Q9UNQ0 5/20 0.46
▸ KDR P35968 5/20 0.46
▸ BRAF P15056 2/20 0.44
▸ MAPK14 Q16539 2/20 0.44
▸ L3MBTL1 Q9Y468 2/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ ADCY1 Q08828 1/20 0.41
▸ ADORA2A P29274 1/20 0.41
▸ FLT1 P17948 3/20 0.40
▸ TNNI3K Q59H18 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.39
▸ MAPT P10636 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
SCHEMBL17658728 0.88 KDM4E (0.44) GSK3BABCG2KDRFLT1KDM4E
SCHEMBL12336431 0.87 KDR (0.54) GSK3BABCG2KDRBRAFMAPK14
SCHEMBL12336259 0.82 GSK3B (0.45) GSK3BKDRBRAFMAPK14NPSR1
SCHEMBL12336434 0.81 KDR (0.47) GSK3BKDRBRAFNPSR1ADCY1
SCHEMBL12336547 0.81 ABCG2 (0.46) ABCG2KDRBRAFMAPK14L3MBTL1
SCHEMBL14949499 0.80 PDGFRB (0.44) GSK3BABCG2KDRBRAFMAPK14
SCHEMBL17661758 0.79 LMNA (0.47) GSK3BABCG2KDRBRAFNPSR1
SCHEMBL12336252 0.79 KDR (0.60) GSK3BABCG2KDRBRAFMAPK14
SCHEMBL12336280 0.78 KDR (0.55) GSK3BKDRBRAFMAPK14NPSR1
SCHEMBL12336273 0.78 PDGFRB (0.57) GSK3BABCG2KDRBRAFMAPK14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160096824-A1 Heterocyclic Compounds Useful for Kinase Inhibition AMITECH THERAPEUTIC SOLUTIONS, INC. 2016-04-07 — — 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-20160096824-A1 Heterocyclic Compounds Useful for Kinase Inhibition MAP4K2, MAP3K20, MAP3K19 GSK3B 581/4885ABCG2 1978/4885KDR 533/4885

“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.

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