SCHEMBL18170934

SCHEMBL18170934

CC(=O)c1cccc(-c2ccc(NC(=O)c3ccccc3)c3c2CNC3=O)c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 12/20 0.68
HDAC2 Q92769 1/20 0.50
PARP10 Q53GL7 1/20 0.44
PARP11 Q9NR21 1/20 0.44
ROCK2 O75116 1/20 0.44
RET P07949 1/20 0.44
FLT1 P17948 1/20 0.44
EPHA2 P29317 1/20 0.44
AXL P30530 1/20 0.44
FLT4 P35916 1/20 0.44
FLT3 P36888 1/20 0.44
FRK P42685 1/20 0.44
AURKB Q96GD4 1/20 0.44
CASP3 P42574 1/20 0.44
CHEK1 O14757 1/20 0.42
TDP2 O95551 1/20 0.42
POLB P06746 1/20 0.41
KMT2A Q03164 1/20 0.41
CYP1A2 P05177 1/20 0.41
TSHR P16473 1/20 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
SCHEMBL18170628 0.91 KDR (0.70) KDRROCK2RETFLT1EPHA2
SCHEMBL18170853 0.90 KDR (0.75) KDRHDAC2ROCK2RETFLT1
SCHEMBL18170592 0.90 KDR (0.64) KDRAXLCASP3POLBCA12
SCHEMBL18170695 0.89 KDR (0.68) KDRHDAC2CASP3POLBKMT2A
SCHEMBL18171025 0.89 KDR (0.69) KDRHDAC2AURKBCASP3KMT2A
SCHEMBL18170453 0.87 KDR (0.63) KDRCASP3POLBKMT2ACYP1A2
SCHEMBL18170712 0.87 KDR (0.63) KDRCASP3KMT2A
SCHEMBL18170789 0.87 KDR (0.62) KDRHDAC2POLBKMT2A
SCHEMBL18170567 0.87 KDR (0.62) KDRROCK2RETFLT1EPHA2
SCHEMBL18170547 0.87 KDR (0.62) KDRROCK2RETFLT1EPHA2

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 1662/4885HDAC2 2231/4885PARP10 2327/4885

“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.