SCHEMBL18170958

SCHEMBL18170958

Cc1cccc(C)c1-c1ccc(NC(=O)c2ccccc2)c2c1CNC2=O

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDR P35968 8/20 0.64
POLB P06746 1/20 0.48
HPGD P15428 1/20 0.48
CASP3 P42574 1/20 0.47
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
MMP14 P50281 1/20 0.45
CYP1A2 P05177 2/20 0.45
MAPT P10636 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
CA12 O43570 1/20 0.44
CA2 P00918 1/20 0.44
CA9 Q16790 1/20 0.44
TSHR P16473 1/20 0.41
KCNMA1 Q12791 1/20 0.40
HDAC2 Q92769 1/20 0.40
PARP1 P09874 1/20 0.40

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
SCHEMBL18171022 0.91 KDR (0.62) KDRPOLBHPGDCASP3MEN1
SCHEMBL18170878 0.90 KDR (0.61) KDRPOLBHPGDCASP3MEN1
SCHEMBL18170742 0.87 KDR (0.59) KDRPOLBHPGDCASP3MEN1
SCHEMBL18170844 0.86 KDR (0.65) KDRPOLBHPGDCASP3MEN1
SCHEMBL18171025 0.85 KDR (0.69) KDRCASP3MEN1KMT2AMMP14
SCHEMBL18170971 0.85 KDR (0.64) KDRPOLBHPGDCASP3MEN1
SCHEMBL18170853 0.85 KDR (0.75) KDRPOLBCASP3MEN1KMT2A
SCHEMBL18170488 0.85 KDR (0.59) KDRCASP3MEN1KMT2AMAPT
SCHEMBL18171021 0.85 KDR (0.75) KDRCASP3MAPTKCNMA1
SCHEMBL18170637 0.84 KDR (0.68) KDRPOLBHPGDCASP3KMT2A

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 1662/4885POLB 2948/4885HPGD 4720/4885

“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.