SCHEMBL18170780

SCHEMBL18170780

COc1cccc(-c2ccc(NC(=O)c3ccc(NCCN(C)C)cc3)c3c2CNC3=O)c1OC

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDR P35968 9/20 0.45
HTR1D P28221 1/20 0.39
HTR1B P28222 1/20 0.39
HTR2A P28223 1/20 0.39
NAMPT P43490 1/20 0.39
TOP2B Q02880 2/20 0.38
CCNT1 O60563 1/20 0.38
CCNA2 P20248 1/20 0.38
CDK2 P24941 1/20 0.38
CDK9 P50750 1/20 0.38
MCHR1 Q99705 1/20 0.38
RPS6KA2 Q15349 1/20 0.37
HDAC1 Q13547 1/20 0.37
CASP3 P42574 2/20 0.35
LMNA P02545 1/20 0.35
POLB P06746 1/20 0.35

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
SCHEMBL18170694 0.95 TOP2B (0.44) KDRNAMPTTOP2BCCNT1CCNA2
SCHEMBL18170429 0.93 KDR (0.47) KDRHTR1DHTR1BHTR2ANAMPT
SCHEMBL18170759 0.91 KDR (0.49) KDRNAMPTRPS6KA2HDAC1CASP3
SCHEMBL18170882 0.91 KDR (0.47) KDRNAMPTRPS6KA2HDAC1CASP3
SCHEMBL18170478 0.90 KDR (0.46) KDRNAMPTRPS6KA2HDAC1CASP3
SCHEMBL18170829 0.87 KDR (0.43) KDRNAMPTMCHR1RPS6KA2LMNA
SCHEMBL18170536 0.86 CASP3 (0.47) KDRNAMPTCASP3
SCHEMBL18171034 0.86 KDR (0.43) KDRNAMPTMCHR1RPS6KA2LMNA
SCHEMBL18170640 0.86 KDR (0.43) KDRNAMPTRPS6KA2
SCHEMBL18170843 0.86 KDR (0.43) KDRNAMPTMCHR1RPS6KA2LMNA

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 1662/4885HTR1D 4351/4885HTR1B 3897/4885

“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.