SCHEMBL18170429

SCHEMBL18170429

COc1ccccc1-c1ccc(NC(=O)c2ccc(NCCN(C)C)cc2)c2c1CNC2=O

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDR P35968 6/20 0.47
MCHR1 Q99705 4/20 0.41
RPS6KA2 Q15349 1/20 0.40
TOP2B Q02880 2/20 0.40
CCNT1 O60563 1/20 0.40
CCNA2 P20248 1/20 0.40
CDK2 P24941 1/20 0.40
CDK9 P50750 1/20 0.40
HTR1D P28221 1/20 0.39
HTR1B P28222 1/20 0.39
HTR2A P28223 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.37
CASP3 P42574 1/20 0.37
FYN P06241 1/20 0.37
STK10 O94804 1/20 0.36
SLK Q9H2G2 1/20 0.36
NAMPT P43490 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
SCHEMBL18170780 0.93 KDR (0.45) KDRMCHR1RPS6KA2TOP2BCCNT1
SCHEMBL18170679 0.91 KDR (0.49) KDRRPS6KA2SMN1; SMN2CASP3STK10
SCHEMBL18170457 0.91 KDR (0.51) KDRRPS6KA2SMN1; SMN2CASP3STK10
SCHEMBL18170766 0.89 KDR (0.47) KDRRPS6KA2SMN1; SMN2CASP3STK10
SCHEMBL18170480 0.89 KDR (0.49) KDRRPS6KA2TOP2BSMN1; SMN2CASP3
SCHEMBL18170874 0.88 KDR (0.49) KDRRPS6KA2TOP2BSMN1; SMN2CASP3
SCHEMBL18170694 0.88 TOP2B (0.44) KDRMCHR1RPS6KA2TOP2BCCNT1
SCHEMBL18170486 0.87 KDR (0.59) KDRMCHR1TOP2B
SCHEMBL18170557 0.86 SMN1; SMN2 (0.47) KDRMCHR1RPS6KA2SMN1; SMN2
SCHEMBL18170616 0.86 KDR (0.49) KDRSMN1; 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 1662/4885MCHR1 4667/4885RPS6KA2 175/4885

“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.