SCHEMBL18170964

SCHEMBL18170964

COc1ccccc1-c1ccc(NC(=O)c2ccc(NCCN3CCOCC3)cc2)c2c1CNC2=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.48
BCL3 P20749 2/20 0.48
GAA P10253 1/20 0.48
CYP1A2 P05177 4/20 0.44
CYP3A4 P08684 3/20 0.44
CYP2D6 P10635 3/20 0.44
CLK4 Q9HAZ1 1/20 0.44
MEN1 O00255 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
KMT2A Q03164 1/20 0.44
HSD17B10 Q99714 3/20 0.44
KDM4E B2RXH2 2/20 0.44
LMNA P02545 1/20 0.44
HIF1A Q16665 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
KDR P35968 1/20 0.43
MAPT P10636 1/20 0.43
ALOX15 P16050 1/20 0.43
SMN1; SMN2 Q16637 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
SCHEMBL18170680 0.95 CHRNA7 (0.48) ALDH1A1BCL3GAACYP1A2CYP3A4
SCHEMBL18170618 0.93 ALDH1A1 (0.44) ALDH1A1BCL3GAACYP1A2CYP3A4
SCHEMBL18170557 0.93 SMN1; SMN2 (0.47) ALDH1A1CYP3A4CYP2D6KDRSMN1; SMN2
Hydrochloric Acid SCHEMBL18170442 0.92 SMN1; SMN2 (0.47) ALDH1A1CYP3A4CYP2D6KDRSMN1; SMN2
SCHEMBL18170719 0.92 SMN1; SMN2 (0.47) ALDH1A1CYP3A4CYP2D6LMNAKDR
SCHEMBL18170865 0.92 SMN1; SMN2 (0.47) ALDH1A1CYP3A4CYP2D6LMNAKDR
SCHEMBL18170625 0.89 CHRNA7 (0.45) ALDH1A1BCL3GAACYP1A2CYP3A4
SCHEMBL18170675 0.88 SMN1; SMN2 (0.46) CYP3A4CYP2D6KDRSMN1; SMN2CHRNA7
SCHEMBL18170526 0.88 KDR (0.43) CYP3A4CYP2D6KDRSMN1; SMN2CHRNA7
SCHEMBL18170521 0.88 HTR3A (0.46) CYP3A4CYP2D6KDRSMN1; SMN2CHRNA7

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 7 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-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
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 ALDH1A1 4760/4885BCL3 208/4885GAA 2982/4885

“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.