SCHEMBL18170916

SCHEMBL18170916

O=C(Nc1ccc(-c2ccco2)c2c1C(=O)NC2)c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 4/20 0.57
HDAC2 Q92769 1/20 0.46
KMT2A Q03164 5/20 0.44
CASP3 P42574 1/20 0.43
RAB9A P51151 4/20 0.42
MEN1 O00255 3/20 0.42
ALDH1A1 P00352 3/20 0.42
NPC1 O15118 3/20 0.42
HSD17B10 Q99714 2/20 0.42
KDM4E B2RXH2 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
TP53 P04637 1/20 0.42
GLA P06280 1/20 0.42
TSHR P16473 2/20 0.41
MAPT P10636 2/20 0.41
PKM P14618 2/20 0.41
ALOX15 P16050 1/20 0.41
MMP14 P50281 1/20 0.41
CYP1A2 P05177 2/20 0.40
ADORA2A P29274 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
SCHEMBL18170605 0.90 KDR (0.48) KDRKMT2ACASP3RAB9AMEN1
SCHEMBL18170474 0.88 KDR (0.54) KDRHDAC2KMT2ARAB9AMEN1
SCHEMBL18170668 0.85 KDR (0.50) KDRKMT2ACASP3RAB9AMEN1
SCHEMBL18171025 0.83 KDR (0.69) KDRHDAC2KMT2ACASP3MEN1
SCHEMBL18170426 0.83 KDR (0.48) KDRKMT2ARAB9AMEN1ALDH1A1
SCHEMBL18170513 0.82 KDR (0.47) KDRRAB9ANPC1SMN1; SMN2LMNA
SCHEMBL18170634 0.81 KDR (0.47) KDRKMT2ARAB9AMEN1ALDH1A1
SCHEMBL18170570 0.81 KDR (0.59) KDRHDAC2KMT2ACASP3MEN1
SCHEMBL18171021 0.81 KDR (0.75) KDRCASP3RAB9ANPC1SMN1; SMN2
SCHEMBL18170714 0.81 KDR (0.44) KDRKMT2AMEN1ALDH1A1KDM4E

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 1662/4885HDAC2 2231/4885KMT2A 1369/4885

“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.