SCHEMBL18170976

SCHEMBL18170976

O=C(Nc1ccc(-c2cc(F)cc(F)c2)c2c1C(=O)NC2)c1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDR P35968 8/20 0.62
PIK3CD O00329 3/20 0.46
PIK3CB P42338 3/20 0.46
PIK3CA P42336 2/20 0.46
HDAC1 Q13547 1/20 0.43
CASP3 P42574 2/20 0.43
CYP1A2 P05177 1/20 0.42
TSHR P16473 1/20 0.42
MEN1 O00255 1/20 0.41
MMP14 P50281 1/20 0.41
KMT2A Q03164 1/20 0.41
HDAC2 Q92769 1/20 0.40
ABCB1 P08183 1/20 0.40
PIK3CG P48736 1/20 0.40
CA12 O43570 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40

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
SCHEMBL18170453 0.91 KDR (0.63) KDRPIK3CDPIK3CBPIK3CAHDAC1
SCHEMBL18170598 0.90 KDR (0.66) KDRHDAC1CASP3TSHRMEN1
SCHEMBL18171025 0.88 KDR (0.69) KDRHDAC1CASP3CYP1A2TSHR
SCHEMBL18170664 0.88 KDR (0.61) KDRHDAC1CASP3CYP1A2MEN1
SCHEMBL18170926 0.88 KDR (0.63) KDRCASP3CYP1A2TSHRMEN1
SCHEMBL18170609 0.87 KDR (0.63) KDRHDAC1CASP3CYP1A2TSHR
SCHEMBL18170588 0.87 KDR (0.63) KDRHDAC1TSHRMEN1KMT2A
SCHEMBL18170622 0.87 KDR (0.71) KDRCASP3CYP1A2TSHRHDAC2
SCHEMBL18170868 0.86 KDR (0.56) KDRHDAC1CASP3CYP1A2TSHR
SCHEMBL18170941 0.85 KDR (0.55) KDRHDAC1CASP3CYP1A2TSHR

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 1662/4885PIK3CD 269/4885PIK3CB 260/4885

“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.