SCHEMBL18170725

SCHEMBL18170725

O=C(Nc1ccc(-c2ccncc2)c2c1C(=O)NC2)c1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 6/20 0.64
AURKA O14965 1/20 0.50
TTK P33981 1/20 0.50
ITK Q08881 1/20 0.50
AURKB Q96GD4 1/20 0.50
INCENP Q9NQS7 1/20 0.50
HDAC2 Q92769 1/20 0.46
POLB P06746 2/20 0.46
JAK2 O60674 1/20 0.45
TYK2 P29597 1/20 0.45
HTT P42858 2/20 0.44
CASP3 P42574 1/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
F2 P00734 1/20 0.44
F12 P00748 1/20 0.44
MEN1 O00255 1/20 0.43
MMP14 P50281 1/20 0.43
KMT2A Q03164 1/20 0.43

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
Hydrochloric Acid SCHEMBL18170518 0.99 KDR (0.63) KDRAURKATTKITKAURKB
SCHEMBL18170779 0.95 KDR (0.62) KDRAURKATTKITKAURKB
SCHEMBL18171025 0.93 KDR (0.69) KDRAURKATTKITKAURKB
SCHEMBL18170846 0.89 KDR (0.60) KDRAURKATTKITKAURKB
SCHEMBL18170911 0.89 KDR (0.62) KDRHDAC2CASP3F2F12
Hydrochloric Acid SCHEMBL18170594 0.88 KDR (0.61) KDRHDAC2CASP3F2F12
SCHEMBL18170979 0.88 KDR (0.69) KDRHDAC2HTTALDH1A1L3MBTL1
SCHEMBL18170624 0.88 KDR (0.64) KDRHDAC2CASP3ALDH1A1
SCHEMBL18171021 0.87 KDR (0.75) KDRAURKAITKAURKBCASP3
SCHEMBL18170598 0.87 KDR (0.66) KDRHDAC2CASP3KDM4EALDH1A1

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 1662/4885AURKA 373/4885TTK 82/4885

“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.