SCHEMBL18171015

SCHEMBL18171015

O=C(Nc1ccc(-c2ccccc2O)c2c1C(=O)NC2)c1ccc(NCCCO)cc1

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KDR P35968 14/20 0.52
HDAC1 Q13547 1/20 0.37
CYP1A2 P05177 1/20 0.37
TSHR P16473 1/20 0.37
CSF1R P07333 1/20 0.36
PLK1 P53350 2/20 0.36
CASP3 P42574 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
SCHEMBL18170425 0.97 KDR (0.51) KDRHDAC1CYP1A2TSHRCSF1R
SCHEMBL18170849 0.94 KDR (0.54) KDRHDAC1CYP1A2TSHRCSF1R
SCHEMBL18170889 0.91 KDR (0.49) KDRCSF1RPLK1
SCHEMBL18170716 0.90 KDR (0.59) KDRHDAC1CYP1A2TSHRPLK1
SCHEMBL18170480 0.88 KDR (0.49) KDRHDAC1CASP3
SCHEMBL18170441 0.87 KDR (0.58) KDRCYP1A2TSHRPLK1
SCHEMBL18170874 0.85 KDR (0.49) KDRHDAC1PLK1CASP3
SCHEMBL18170499 0.84 KDR (0.50) KDRHDAC1CYP1A2TSHRPLK1
SCHEMBL18170524 0.84 KDR (0.61) KDRHDAC1CYP1A2TSHRCASP3
SCHEMBL18170457 0.82 KDR (0.51) KDRHDAC1CASP3

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 1662/4885HDAC1 2587/4885CYP1A2 3442/4885

“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.