SCHEMBL18170827

SCHEMBL18170827

O=C(Nc1ccc(-c2ccsc2)c2c1C(=O)NC2)c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 8/20 0.59
KIT P10721 1/20 0.48
FLT1 P17948 1/20 0.48
CASP3 P42574 1/20 0.42
HDAC1 Q13547 2/20 0.41
MEN1 O00255 1/20 0.40
MMP14 P50281 1/20 0.40
KMT2A Q03164 1/20 0.40
AAK1 Q2M2I8 1/20 0.40
CYP1A2 P05177 1/20 0.39
TSHR P16473 1/20 0.39
KCNK3 O14649 1/20 0.39
KCNK9 Q9NPC2 1/20 0.39
CA12 O43570 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
HPGD P15428 1/20 0.38
AURKA O14965 1/20 0.38
TTK P33981 1/20 0.38
ITK Q08881 1/20 0.38

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
SCHEMBL18171025 0.87 KDR (0.69) KDRCASP3HDAC1MEN1MMP14
SCHEMBL18170725 0.85 KDR (0.64) KDRCASP3HDAC1MEN1MMP14
Hydrochloric Acid SCHEMBL18170518 0.84 KDR (0.63) KDRCASP3HDAC1MEN1MMP14
SCHEMBL18170911 0.83 KDR (0.62) KDRCASP3HDAC1AAK1
Hydrochloric Acid SCHEMBL18170594 0.83 KDR (0.61) KDRCASP3HDAC1AAK1
SCHEMBL18170451 0.82 KDR (0.66) KDRCASP3MEN1KMT2AHPGD
SCHEMBL18170598 0.82 KDR (0.66) KDRCASP3HDAC1MEN1MMP14
SCHEMBL18170926 0.82 KDR (0.63) KDRCASP3MEN1MMP14KMT2A
SCHEMBL18171021 0.82 KDR (0.75) KDRFLT1CASP3AURKAITK
SCHEMBL18170976 0.81 KDR (0.62) KDRCASP3HDAC1MEN1MMP14

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 7 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-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
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 KDR 1662/4885KIT 559/4885FLT1 3429/4885

“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.