SCHEMBL18170481

SCHEMBL18170481

O=C(Nc1ccc(-c2ccccc2)c2c1C(=O)NC2)c1ccccc1F

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 5/20 0.53
HTT P42858 2/20 0.50
MAPT P10636 2/20 0.46
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
L3MBTL1 Q9Y468 3/20 0.43
ALDH1A1 P00352 2/20 0.43
USP2 O75604 1/20 0.43
GLA P06280 1/20 0.43
TSHR P16473 1/20 0.43
ATM Q13315 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
PTPRC P08575 2/20 0.41
CTSL P07711 1/20 0.41
PTPN1 P18031 1/20 0.41
CTSS P25774 1/20 0.41

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
SCHEMBL18170833 0.89 MAPT (0.54) KDRHTTMAPTALDH1A1NPC1
SCHEMBL18170477 0.86 KDR (0.56) KDRHTTMAPTMEN1KMT2A
SCHEMBL18170808 0.86 KDR (0.58) KDRMAPTMEN1KMT2AL3MBTL1
SCHEMBL18170741 0.86 KDR (0.53) KDRMAPTMEN1KMT2AALDH1A1
SCHEMBL18170746 0.85 KDR (0.58) KDRHTTMEN1KMT2AALDH1A1
SCHEMBL18170666 0.85 KDR (0.54) KDRHTTNPSR1NPC1RAB9A
SCHEMBL18171025 0.84 KDR (0.69) KDRMEN1KMT2ATSHR
SCHEMBL18170503 0.84 MEN1 (0.52) KDRHTTMAPTMEN1KMT2A
SCHEMBL18170664 0.84 KDR (0.61) KDRHTTMEN1KMT2AL3MBTL1
SCHEMBL18170444 0.84 KDR (0.53) KDRMAPTMEN1KMT2AL3MBTL1

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 1662/4885HTT 2877/4885MAPT 1133/4885

“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.