SCHEMBL18170480

SCHEMBL18170480

COc1ccccc1-c1ccc(NC(=O)c2ccc(NCCCO)cc2)c2c1CNC2=O

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDR P35968 7/20 0.49
RPS6KA2 Q15349 1/20 0.41
MAPT P10636 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
CASP3 P42574 1/20 0.38
STK10 O94804 1/20 0.37
SLK Q9H2G2 1/20 0.37
TOP2B Q02880 1/20 0.37
HDAC1 Q13547 2/20 0.37
NAMPT P43490 1/20 0.37
MLYCD O95822 1/20 0.37
ALDH1A1 P00352 2/20 0.37
POLB P06746 1/20 0.37
HTT P42858 1/20 0.36

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
SCHEMBL18170874 0.97 KDR (0.49) KDRRPS6KA2MAPTSMN1; SMN2CASP3
SCHEMBL18170457 0.95 KDR (0.51) KDRRPS6KA2MAPTSMN1; SMN2CASP3
SCHEMBL18170766 0.93 KDR (0.47) KDRRPS6KA2MAPTSMN1; SMN2CASP3
SCHEMBL18170679 0.91 KDR (0.49) KDRRPS6KA2MAPTSMN1; SMN2CASP3
SCHEMBL18170429 0.89 KDR (0.47) KDRRPS6KA2SMN1; SMN2CASP3STK10
SCHEMBL18170675 0.89 SMN1; SMN2 (0.46) KDRRPS6KA2SMN1; SMN2
SCHEMBL18170521 0.88 HTR3A (0.46) KDRSMN1; SMN2
SCHEMBL18170526 0.88 KDR (0.43) KDRRPS6KA2SMN1; SMN2
SCHEMBL18171015 0.88 KDR (0.52) KDRCASP3HDAC1
SCHEMBL18170759 0.87 KDR (0.49) KDRRPS6KA2MAPTSMN1; SMN2CASP3

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 1662/4885RPS6KA2 175/4885MAPT 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.