SCHEMBL18170868

SCHEMBL18170868

O=C(Nc1ccc(-c2ccc(F)cc2F)c2c1C(=O)NC2)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDR P35968 4/20 0.56
HDAC1 Q13547 2/20 0.51
BTK Q06187 3/20 0.42
CASP3 P42574 2/20 0.42
MAPT P10636 1/20 0.42
MAPK14 Q16539 1/20 0.42
CYP1A2 P05177 1/20 0.42
TSHR P16473 1/20 0.42
ALDH1A1 P00352 1/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MEN1 O00255 1/20 0.40
MMP14 P50281 1/20 0.40
KMT2A Q03164 1/20 0.40
GAA P10253 1/20 0.40
POLB P06746 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
SCHEMBL18170941 0.93 KDR (0.55) KDRHDAC1CASP3MAPTMAPK14
SCHEMBL18170883 0.90 KDR (0.56) KDRHDAC1BTKCASP3MAPK14
SCHEMBL18170900 0.88 KDR (0.55) KDRHDAC1MAPTCYP1A2ALDH1A1
SCHEMBL18170598 0.87 KDR (0.66) KDRHDAC1CASP3MAPTTSHR
SCHEMBL18170453 0.86 KDR (0.63) KDRHDAC1CASP3MAPTCYP1A2
SCHEMBL18170976 0.86 KDR (0.62) KDRHDAC1CASP3CYP1A2TSHR
SCHEMBL18170956 0.85 KDR (0.56) KDRHDAC1BTKCASP3MAPK14
SCHEMBL18170664 0.84 KDR (0.61) KDRHDAC1CASP3CYP1A2ALDH1A1
SCHEMBL18170588 0.84 KDR (0.63) KDRHDAC1MAPTTSHRALDH1A1
SCHEMBL18170609 0.84 KDR (0.63) KDRHDAC1BTKCASP3MAPK14

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 KDR 1662/4885HDAC1 2587/4885BTK 526/4885

“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.