SCHEMBL18170979

SCHEMBL18170979

O=C(Nc1ccc(-c2ccccc2)c2c1C(=O)NC2)c1cccnc1

nearest known ligand 0.69

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDR P35968 3/20 0.69
HDAC1 Q13547 3/20 0.50
HDAC3 O15379 2/20 0.49
HDAC2 Q92769 2/20 0.49
AAK1 Q2M2I8 1/20 0.47
ABCB1 P08183 2/20 0.47
ALDH1A1 P00352 1/20 0.46
ALOX15 P16050 1/20 0.46
HTT P42858 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
MAPT P10636 1/20 0.45
KCNK3 O14649 1/20 0.44
LMNA P02545 1/20 0.44
STK33 Q9BYT3 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
SCHEMBL18170911 0.94 KDR (0.62) KDRHDAC1HDAC3HDAC2AAK1
Hydrochloric Acid SCHEMBL18170594 0.94 KDR (0.61) KDRHDAC1HDAC3HDAC2AAK1
SCHEMBL18171025 0.90 KDR (0.69) KDRHDAC1HDAC2
SCHEMBL18170725 0.88 KDR (0.64) KDRHDAC1HDAC2ALDH1A1HTT
SCHEMBL18170779 0.88 KDR (0.62) KDRHDAC1ALDH1A1HTTL3MBTL1
Hydrochloric Acid SCHEMBL18170518 0.87 KDR (0.63) KDRHDAC1HDAC2ALDH1A1HTT
SCHEMBL18170846 0.86 KDR (0.60) KDRHDAC2ABCB1
SCHEMBL18170566 0.83 KDR (0.75) KDRHDAC2ALDH1A1MAPTKCNK3
SCHEMBL1335523 0.82 KDR (1.00) KDR
SCHEMBL18170451 0.82 KDR (0.66) KDRALDH1A1MAPTLMNA

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 2587/4885HDAC3 3004/4885

“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.