SCHEMBL18170765

SCHEMBL18170765

Cc1ccccc1Nc1ccc(NC(=O)c2ccccc2)c2c1CNC2=O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.55
HPGD P15428 1/20 0.55
KDR P35968 3/20 0.54
EPHX1 P07099 1/20 0.45
CASP3 P42574 1/20 0.44
CA12 O43570 1/20 0.44
CA2 P00918 1/20 0.44
CA9 Q16790 1/20 0.44
TP53 P04637 1/20 0.43
CYP1A2 P05177 2/20 0.42
MAPT P10636 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
HDAC1 Q13547 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
TSHR P16473 1/20 0.41
ATM Q13315 1/20 0.41
KCNMA1 Q12791 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
SCHEMBL18170467 0.91 MEN1 (0.48) POLBHPGDKDRCASP3CYP1A2
SCHEMBL18170742 0.87 KDR (0.59) POLBHPGDKDRCASP3CA12
SCHEMBL18170709 0.86 RAB9A (0.50) KDRCASP3CA12CA2CA9
SCHEMBL18170485 0.85 KDR (0.58) POLBKDRCASP3CA12CA2
SCHEMBL18170912 0.85 KDR (0.49) HPGDKDRCASP3MAPTHDAC1
SCHEMBL18170949 0.85 KDR (0.61) KDRCASP3CYP1A2MAPTTSHR
SCHEMBL18171022 0.84 KDR (0.62) POLBHPGDKDRCASP3CA12
SCHEMBL18170958 0.84 KDR (0.64) POLBHPGDKDRCASP3CA12
SCHEMBL18170560 0.83 KDR (0.69) POLBHPGDKDRTP53CYP1A2
SCHEMBL18170925 0.83 CASP3 (0.47) KDRCASP3TP53MAPTKCNMA1

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 POLB 2948/4885HPGD 4720/4885KDR 1662/4885

“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.