SCHEMBL18171024

SCHEMBL18171024

CCCOc1cccc(-c2ccc(NC(=O)c3ccccc3)c3c2CNC3=O)c1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDR P35968 5/20 0.58
MAPT P10636 4/20 0.46
FABP1 P07148 1/20 0.46
SMN1; SMN2 Q16637 4/20 0.46
TP53 P04637 3/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
RXFP1 Q9HBX9 1/20 0.46
KMT2A Q03164 3/20 0.45
MEN1 O00255 2/20 0.45
NR1H4 Q96RI1 2/20 0.45
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.43
AKR1C2 P52895 1/20 0.42
AKR1C1 Q04828 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42

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
SCHEMBL18170688 0.95 KDR (0.57) KDRMAPTTP53KMT2AMEN1
SCHEMBL18170805 0.93 KDR (0.60) KDRFABP1NPC1RAB9AKMT2A
SCHEMBL18170572 0.90 KDR (0.61) KDRMAPTSMN1; SMN2TP53NPC1
SCHEMBL18170789 0.88 KDR (0.62) KDRMAPTSMN1; SMN2TP53NPC1
SCHEMBL18170797 0.86 KDR (0.61) KDRMAPTSMN1; SMN2TP53RXFP1
SCHEMBL18170960 0.86 KDR (0.61) KDRMAPTSMN1; SMN2NPC1RAB9A
SCHEMBL18170507 0.84 KDR (0.62) KDRMAPTSMN1; SMN2ALDH1A1TSHR
SCHEMBL18170853 0.83 KDR (0.75) KDRKMT2AMEN1
SCHEMBL18170529 0.83 KDR (0.57) KDRHDAC6
SCHEMBL18171035 0.83 KDR (0.52) KDRMAPTTP53RXFP1KMT2A

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 1662/4885MAPT 1133/4885FABP1 867/4885

“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.