SCHEMBL18170843

SCHEMBL18170843

COc1cccc(-c2ccc(NC(=O)c3ccc(NCCN4CCCCCC4)cc3)c3c2CNC3=O)c1OC

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDR P35968 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
MCHR1 Q99705 3/20 0.39
HTR3A P46098 1/20 0.39
NAMPT P43490 1/20 0.38
HPGD P15428 1/20 0.38
LMNA P02545 2/20 0.38
MAPT P10636 1/20 0.38
CHRNA7 P36544 2/20 0.38
KCNH2 Q12809 2/20 0.38
CHRNA1 P02708 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CHRNB2 P17787 1/20 0.38
CHRNA4 P43681 1/20 0.38
ALDH1A1 P00352 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
RPS6KA2 Q15349 1/20 0.37

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
SCHEMBL18171034 1.00 KDR (0.43) KDRSMN1; SMN2MCHR1HTR3ANAMPT
SCHEMBL18170829 0.99 KDR (0.43) KDRSMN1; SMN2MCHR1HTR3ANAMPT
Hydrochloric Acid SCHEMBL18170861 0.98 KDR (0.43) KDRSMN1; SMN2MCHR1HTR3ANAMPT
SCHEMBL18170915 0.95 CHRNA7 (0.43) KDRSMN1; SMN2MCHR1HTR3ACHRNA7
SCHEMBL18170606 0.95 KDR (0.42) KDRSMN1; SMN2MCHR1HTR3ANAMPT
SCHEMBL18170640 0.94 KDR (0.43) KDRSMN1; SMN2NAMPTALDH1A1RPS6KA2
SCHEMBL18170865 0.93 SMN1; SMN2 (0.47) KDRSMN1; SMN2MCHR1HTR3AHPGD
SCHEMBL18170719 0.93 SMN1; SMN2 (0.47) KDRSMN1; SMN2MCHR1HTR3AHPGD
SCHEMBL18170618 0.93 ALDH1A1 (0.44) KDRSMN1; SMN2HPGDLMNAMAPT
SCHEMBL18170557 0.92 SMN1; SMN2 (0.47) KDRSMN1; SMN2MCHR1HTR3AHPGD

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 878/4885MCHR1 4667/4885

“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.