SCHEMBL18171035

SCHEMBL18171035

CCCOc1ccccc1-c1ccc(NC(=O)c2ccccc2)c2c1CNC2=O

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDR P35968 4/20 0.52
GAA P10253 2/20 0.47
MAPT P10636 5/20 0.42
TP53 P04637 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
CASP3 P42574 1/20 0.41
CREBBP Q92793 1/20 0.40
RPS6KA2 Q15349 1/20 0.40
MEN1 O00255 1/20 0.39
MMP14 P50281 1/20 0.39
KMT2A Q03164 1/20 0.39
MRGPRX1 Q96LB2 1/20 0.39
TSHR P16473 2/20 0.39
LMNA P02545 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
CYP1A2 P05177 1/20 0.39
CSF1R P07333 1/20 0.39
THRB P10828 1/20 0.38

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
SCHEMBL18170684 0.95 KDR (0.51) KDRGAAMAPTTP53RXFP1
SCHEMBL18170724 0.92 KDR (0.54) KDRGAAMAPTTP53CASP3
SCHEMBL18170648 0.87 KDR (0.56) KDRGAAMAPTTP53CASP3
SCHEMBL18170572 0.85 KDR (0.61) KDRMAPTTP53RXFP1MEN1
SCHEMBL18170678 0.84 KDR (0.54) KDRGAAMAPTCASP3MEN1
SCHEMBL18171041 0.83 KDR (0.57) KDRMAPTCASP3MEN1MMP14
SCHEMBL18171024 0.83 KDR (0.58) KDRMAPTTP53RXFP1MEN1
SCHEMBL18170437 0.82 KDR (0.54) KDRCASP3MEN1MMP14KMT2A
SCHEMBL18170797 0.82 KDR (0.61) KDRMAPTTP53RXFP1MEN1
SCHEMBL18170900 0.81 KDR (0.55) KDRGAAMAPTTP53MEN1

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 1662/4885GAA 2982/4885MAPT 1133/4885

“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.