SCHEMBL18170962

SCHEMBL18170962

O=C(Nc1ccc(-c2cccc(C(F)(F)F)c2)c2c1C(=O)NC2)c1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDR P35968 7/20 0.60
ALDH1A1 P00352 1/20 0.53
RXFP1 Q9HBX9 5/20 0.48
KCNK3 O14649 1/20 0.46
POLB P06746 1/20 0.45
CTDSP1 Q9GZU7 1/20 0.45
LMNA P02545 1/20 0.45
GAA P10253 1/20 0.44
PTGS1 P23219 1/20 0.44
ADCY1 Q08828 1/20 0.44

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
SCHEMBL18170624 0.90 KDR (0.64) KDRALDH1A1RXFP1PTGS1
SCHEMBL18170453 0.87 KDR (0.63) KDRKCNK3POLB
SCHEMBL18171025 0.86 KDR (0.69) KDR
SCHEMBL18170853 0.85 KDR (0.75) KDRKCNK3POLB
SCHEMBL18170529 0.85 KDR (0.57) KDR
SCHEMBL18170712 0.85 KDR (0.63) KDRRXFP1
SCHEMBL18170934 0.85 KDR (0.68) KDRPOLB
SCHEMBL18170592 0.83 KDR (0.64) KDRPOLB
SCHEMBL18170588 0.82 KDR (0.63) KDRALDH1A1KCNK3POLBLMNA
SCHEMBL18170609 0.82 KDR (0.63) KDR

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 7 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-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
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 1662/4885ALDH1A1 4760/4885RXFP1 4284/4885

“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.