SCHEMBL18170800

SCHEMBL18170800

COc1ccc(C(=O)Nc2ccc(-c3ccc(F)cc3)c3c2C(=O)NC3)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 6/20 0.54
SMN1; SMN2 Q16637 2/20 0.51
NPC1 O15118 1/20 0.51
GAA P10253 1/20 0.51
RAB9A P51151 1/20 0.51
KDM4E B2RXH2 3/20 0.47
LMNA P02545 1/20 0.47
OPRK1 P41145 1/20 0.47
RECQL P46063 1/20 0.47
CCR6 P51684 1/20 0.47
ADCY1 Q08828 1/20 0.47
GPR35 Q9HC97 1/20 0.47
ALDH1A1 P00352 2/20 0.46
MAPT P10636 1/20 0.46
HPGD P15428 1/20 0.46
ABCB1 P08183 1/20 0.45
F10 P00742 2/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
CASP3 P42574 1/20 0.43

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
SCHEMBL18170551 0.91 KDR (0.55) KDRSMN1; SMN2NPC1GAARAB9A
SCHEMBL18170819 0.90 KDR (0.66) KDRNPC1GAARAB9AKDM4E
SCHEMBL18170505 0.90 KDR (0.60) KDRNPC1GAARAB9AKDM4E
SCHEMBL18170898 0.88 KDR (0.59) KDRSMN1; SMN2NPC1RAB9AKDM4E
SCHEMBL18170664 0.86 KDR (0.61) KDRSMN1; SMN2NPC1RAB9AKDM4E
SCHEMBL18170598 0.86 KDR (0.66) KDRSMN1; SMN2NPC1RAB9AKDM4E
SCHEMBL18170771 0.86 KDR (0.61) KDRCASP3
SCHEMBL18170616 0.84 KDR (0.49) KDRSMN1; SMN2GAARAB9AKDM4E
SCHEMBL18170772 0.81 KDR (0.66) KDRGAAMAPTHPGDKMT2A
SCHEMBL18170536 0.81 CASP3 (0.47) KDRSMN1; SMN2NPC1GAARAB9A

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 1662/4885SMN1; SMN2 878/4885NPC1 2005/4885

“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.