SCHEMBL18170620

SCHEMBL18170620

O=C(Nc1ccc(-c2ccnc3ccccc23)c2c1C(=O)NC2)c1ccc(F)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 2/20 0.45
CASP3 P42574 1/20 0.43
AURKA O14965 1/20 0.42
AURKB Q96GD4 1/20 0.42
DNMT1 P26358 3/20 0.42
DNMT3A Q9Y6K1 2/20 0.42
DNMT3L Q9UJW3 1/20 0.42
STK33 Q9BYT3 1/20 0.41
KMT2A Q03164 4/20 0.41
MEN1 O00255 3/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
HDAC6 Q9UBN7 1/20 0.40
PABPC1 P11940 2/20 0.40
EIF4H Q15056 2/20 0.40
KDM4E B2RXH2 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
PPARG P37231 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
SCHEMBL18170449 0.93 CYP1A2 (0.47) KDRCASP3STK33KMT2AMEN1
SCHEMBL18170615 0.83 HRH3 (0.45) KDRDNMT1DNMT3ADNMT3LPARP1
SCHEMBL18170664 0.81 KDR (0.61) KDRCASP3KMT2AMEN1CYP1A2
SCHEMBL18170717 0.80 CASP3 (0.45) KDRCASP3STK33KMT2AMEN1
SCHEMBL18170598 0.79 KDR (0.66) KDRCASP3KMT2AMEN1KDM4E
SCHEMBL18170616 0.79 KDR (0.49) KDRCASP3KMT2AMEN1CYP1A2
SCHEMBL18170803 0.79 KDR (0.46) KDRCASP3STK33KMT2AMEN1
SCHEMBL18170619 0.79 KDR (0.49) KDRCASP3PABPC1NPC1RAB9A
SCHEMBL18170951 0.78 CASP3 (0.51) KDRCASP3STK33KMT2AMEN1
SCHEMBL18170605 0.78 KDR (0.48) KDRCASP3KMT2AMEN1CYP3A4

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 1662/4885CASP3 2056/4885AURKA 373/4885

“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.