SCHEMBL20435085

SCHEMBL20435085

Cc1ccc(C(=O)Nc2cccc(NC(=O)c3cccc(N(C)C)c3)c2)cc1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNK3 O14649 9/20 0.76
▸ MAPK14 Q16539 6/20 0.65
▸ ALDH1A1 P00352 2/20 0.65
▸ MAPT P10636 2/20 0.65
▸ BRAF P15056 2/20 0.65
▸ KDM4E B2RXH2 1/20 0.65
▸ RAF1 P04049 1/20 0.65
▸ TP53 P04637 1/20 0.65
▸ CYP1A2 P05177 1/20 0.65
▸ CYP3A4 P08684 1/20 0.65
▸ CYP2C9 P11712 1/20 0.65
▸ HPGD P15428 1/20 0.65
▸ ALOX15 P16050 1/20 0.65
▸ MAPK11 Q15759 1/20 0.65
▸ HSD17B10 Q99714 1/20 0.65
▸ TDP1 Q9NUW8 1/20 0.65
▸ HDAC6 Q9UBN7 1/20 0.65
▸ KCNK9 Q9NPC2 4/20 0.61
▸ KCNH2 Q12809 1/20 0.61
▸ MEN1 O00255 2/20 0.61

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
SCHEMBL7606555 0.93 KCNK3 (0.68) KCNK3MAPK14ALDH1A1MAPTBRAF
SCHEMBL15599473 0.89 MAPK14 (0.76) KCNK3MAPK14ALDH1A1MAPTBRAF
SCHEMBL12763862 0.89 KCNK3 (0.75) KCNK3MAPK14ALDH1A1MAPTBRAF
SCHEMBL10028403 0.87 MAPK14 (0.85) KCNK3MAPK14ALDH1A1MAPTBRAF
SCHEMBL12764313 0.86 KCNK3 (0.80) KCNK3MAPTTP53CYP1A2CYP3A4
SCHEMBL12228168 0.85 RAB9A (0.71) KCNK3ALDH1A1MAPTTP53CYP1A2
SCHEMBL8970557 0.84 KCNK3 (0.70) KCNK3MAPK14ALDH1A1MAPTBRAF
SCHEMBL7745692 0.84 KCNK3 (0.80) KCNK3ALDH1A1MAPTTP53HPGD
SCHEMBL6782639 0.82 BTK (0.64) KCNK3MAPK14ALDH1A1MAPTBRAF
SCHEMBL15482247 0.82 HDAC6 (0.63) KCNK3MAPK14ALDH1A1MAPTBRAF

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-20180214449-A1 CANCER THERAPY USING JAK INHIBITOR IN COMBINATION WITH MAPK INHIBITORS UBRX, INC. 2018-08-02 — — 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-20180214449-A1 CANCER THERAPY USING JAK INHIBITOR IN COMBINATION WITH MAPK INHIBITORS JAK2, JAK1, JAK3 KCNK3 3813/4885MAPK14 37/4885ALDH1A1 1507/4885

“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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