SCHEMBL18170912

SCHEMBL18170912

COc1ccccc1Nc1ccc(NC(=O)c2ccccc2)c2c1CNC2=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 1/20 0.49
MAPT P10636 1/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
PABPC1 P11940 1/20 0.46
APOBEC3A P31941 1/20 0.46
EIF4H Q15056 1/20 0.46
APOBEC3G Q9HC16 1/20 0.46
HDAC1 Q13547 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
MLYCD O95822 1/20 0.45
KMT2A Q03164 5/20 0.44
MEN1 O00255 4/20 0.44
HPGD P15428 1/20 0.44
KDM4E B2RXH2 2/20 0.43
HTT P42858 1/20 0.43
PKM P14618 1/20 0.43
AKR1C3 P42330 1/20 0.43
AKR1C2 P52895 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
SCHEMBL18170515 0.93 MLYCD (0.47) KDRMAPTNPC1RAB9APABPC1
SCHEMBL18170765 0.85 POLB (0.55) KDRMAPTHDAC1HDAC8HDAC6
SCHEMBL18170488 0.85 KDR (0.59) KDRMAPTNPC1RAB9AHDAC1
SCHEMBL18170648 0.85 KDR (0.56) KDRMAPTNPC1RAB9AHDAC1
SCHEMBL18170578 0.84 NPC1 (0.53) KDRMAPTNPC1RAB9AKMT2A
SCHEMBL18170792 0.84 CASP3 (0.47) KDRNPC1RAB9AMLYCDKMT2A
SCHEMBL18170633 0.83 NPC1 (0.56) KDRNPC1RAB9AKMT2AMEN1
SCHEMBL18170709 0.83 RAB9A (0.50) KDRNPC1RAB9AHDAC1HDAC8
SCHEMBL18170485 0.83 KDR (0.58) KDRKMT2AMEN1CASP3
SCHEMBL18170658 0.82 SMN1; SMN2 (0.51) KDRMAPTHPGD

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 1662/4885MAPT 1133/4885NPC1 2005/4885

“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.