SCHEMBL18170951

SCHEMBL18170951

O=C(Nc1ccc(-c2cccc(O)c2O)c2c1C(=O)NC2)c1ccc(F)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 2/20 0.51
KDR P35968 5/20 0.48
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
KCNMA1 Q12791 2/20 0.40
PARP1 P09874 1/20 0.39
F10 P00742 1/20 0.39
HTT P42858 2/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
POLB P06746 1/20 0.39
NPSR1 Q6W5P4 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
HDAC1 Q13547 1/20 0.38
STK33 Q9BYT3 1/20 0.37
NPC1 O15118 1/20 0.37
LMNA P02545 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
HPGD P15428 1/20 0.37

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
SCHEMBL18170472 0.88 CASP3 (0.47) CASP3KDRMEN1KMT2AKDM4E
SCHEMBL18170783 0.83 KCNMA1 (0.51) CASP3KDRMEN1KMT2AKCNMA1
SCHEMBL18170664 0.83 KDR (0.61) CASP3KDRMEN1KMT2AHTT
SCHEMBL18170616 0.82 KDR (0.49) CASP3KDRMEN1KMT2AHTT
SCHEMBL18170536 0.82 CASP3 (0.47) CASP3KDRKMT2APARP1KDM4E
SCHEMBL18170603 0.82 CASP3 (0.47) CASP3KDRMEN1KMT2APARP1
SCHEMBL18170449 0.81 CYP1A2 (0.47) CASP3KDRMEN1KMT2APARP1
SCHEMBL18170812 0.81 CASP3 (0.48) CASP3KDRMEN1KMT2APARP1
SCHEMBL18170598 0.81 KDR (0.66) CASP3KDRMEN1KMT2AKDM4E
SCHEMBL18170717 0.80 CASP3 (0.45) CASP3KDRMEN1KMT2APARP1

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-9856216-B2 Compounds as TNIK, IKKε and TBK1 inhibitors and pharmaceutical composition comprising same GREEN CROSS CORPORATION (KR) 2018-01-02 US claimed
US-20160311772-A1 COMPOUNDS AS TNIK, IKKEPSILON AND TBK1 INHIBITORS AND PHARMACEUTICAL COMPOSITION COMPRISING SAME GREEN CROSS CORPORATION (KR) 2016-10-27 US claimed
US-9856216-B2 Compounds as TNIK, IKKε and TBK1 inhibitors and pharmaceutical composition comprising same GREEN CROSS CORPORATION (KR) 2018-01-02 US disclosed
US-20160311772-A1 COMPOUNDS AS TNIK, IKKEPSILON AND TBK1 INHIBITORS AND PHARMACEUTICAL COMPOSITION COMPRISING SAME GREEN CROSS CORPORATION (KR) 2016-10-27 US disclosed
US-20160311772-A1 COMPOUNDS AS TNIK, IKKEPSILON AND TBK1 INHIBITORS AND PHARMACEUTICAL COMPOSITION COMPRISING SAME GREEN CROSS CORPORATION (KR) 2016-10-27 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-20160311772-A1 COMPOUNDS AS TNIK, IKKEPSILON AND TBK1 INHIBITORS AND PHARMACEUTICAL COMPOSITION COMPRISING SAME TNIK, TNK1, NFKBIA CASP3 2056/4885KDR 1662/4885MEN1 1064/4885

“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.