SCHEMBL18170616

SCHEMBL18170616

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 3/20 0.49
CASP3 P42574 3/20 0.47
SMN1; SMN2 Q16637 4/20 0.44
KDM4E B2RXH2 2/20 0.44
CYP1A2 P05177 2/20 0.44
CYP2C19 P33261 2/20 0.44
CYP2D6 P10635 1/20 0.44
TSHR P16473 1/20 0.44
ATM Q13315 1/20 0.43
KMT2A Q03164 4/20 0.43
MEN1 O00255 2/20 0.43
MLYCD O95822 1/20 0.42
GAA P10253 1/20 0.42
RAB9A P51151 1/20 0.42
SENP7 Q9BQF6 1/20 0.42
CYP3A4 P08684 1/20 0.42
CACNA1B Q00975 1/20 0.41
APBA1 Q02410 1/20 0.41
HTT P42858 1/20 0.41
ALDH1A1 P00352 2/20 0.41

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
SCHEMBL18170648 0.93 KDR (0.56) KDRCASP3SMN1; SMN2KDM4ECYP1A2
SCHEMBL18170472 0.91 CASP3 (0.47) KDRCASP3SMN1; SMN2KDM4ECYP1A2
SCHEMBL18170536 0.91 CASP3 (0.47) KDRCASP3SMN1; SMN2KDM4ECYP1A2
SCHEMBL18170900 0.91 KDR (0.55) KDRSMN1; SMN2KDM4ECYP1A2CYP2C19
SCHEMBL18170647 0.89 KDR (0.54) KDRCASP3SMN1; SMN2KDM4EKMT2A
SCHEMBL18170676 0.88 KDR (0.54) KDRCASP3KDM4EKMT2AMEN1
SCHEMBL18170457 0.88 KDR (0.51) KDRCASP3SMN1; SMN2KMT2AMEN1
SCHEMBL18170679 0.88 KDR (0.49) KDRCASP3SMN1; SMN2MLYCDHTT
SCHEMBL18170766 0.86 KDR (0.47) KDRCASP3SMN1; SMN2KMT2AMEN1
SCHEMBL18170480 0.86 KDR (0.49) KDRCASP3SMN1; SMN2MLYCDHTT

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 KDR 1662/4885CASP3 2056/4885SMN1; SMN2 878/4885

“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.