SCHEMBL18120890

SCHEMBL18120890

O=C(NCc1cccnc1)c1ccc2[nH]nc(NC(=O)c3ccc(N4CCOCC4)cc3)c2c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AURKA O14965 3/20 0.59
▸ MAPT P10636 1/20 0.55
▸ FLT3 P36888 5/20 0.53
▸ KIT P10721 1/20 0.53
▸ NAMPT P43490 3/20 0.50
▸ NTRK1 P04629 1/20 0.49
▸ INSR P06213 1/20 0.49
▸ IGF1R P08069 1/20 0.49
▸ AURKB Q96GD4 1/20 0.49
▸ ALK Q9UM73 1/20 0.49
▸ CDK7 P50613 1/20 0.49
▸ TP53 P04637 1/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ MAPK3 P27361 1/20 0.47
▸ MAPK1 P28482 1/20 0.47
▸ KDR P35968 1/20 0.47
▸ HDAC3 O15379 1/20 0.47
▸ HDAC4 P56524 1/20 0.47
▸ HDAC1 Q13547 1/20 0.47
▸ HDAC7 Q8WUI4 1/20 0.47

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
Trifluoroacetic Acid SCHEMBL18108683 0.95 AURKA (0.56) AURKAMAPTFLT3KITNAMPT
SCHEMBL18120891 0.91 AURKA (0.60) AURKAFLT3KITNTRK1INSR
SCHEMBL18108695 0.91 AURKA (0.71) AURKAFLT3KITNTRK1INSR
SCHEMBL18108770 0.90 AURKA (0.61) AURKAMAPTFLT3KITNAMPT
Trifluoroacetic Acid SCHEMBL18108594 0.86 NTRK1 (0.57) AURKAFLT3KITNTRK1INSR
SCHEMBL18108567 0.84 AURKA (0.55) AURKAFLT3KITNTRK1INSR
SCHEMBL18108782 0.84 AURKA (0.58) AURKAFLT3KITNAMPTNTRK1
SCHEMBL18108768 0.84 AURKA (0.58) AURKAFLT3KITNTRK1INSR
SCHEMBL18108624 0.84 AURKA (0.58) AURKAFLT3KITNTRK1INSR
SCHEMBL18108658 0.84 AURKA (0.53) AURKAFLT3KITNAMPTNTRK1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10294207-B2 Pyrazole derivatives as TNIK, IKKϵ and TBK1 inhibitor and pharmaceutical composition comprising same GREEN CROSS CORPORATION (KR) 2019-05-21 — — US disclosed
US-20160289196-A1 PYRAZOLE DERIVATIVES AS TNIK, IKKe AND TBK1 INHIBITOR AND PHARMACEUTICAL COMPOSITION COMPRISING SAME GREEN CROSS CORPORATION (KR) 2016-10-06 — — US disclosed
US-20160289196-A1 PYRAZOLE DERIVATIVES AS TNIK, IKKe AND TBK1 INHIBITOR AND PHARMACEUTICAL COMPOSITION COMPRISING SAME GREEN CROSS CORPORATION (KR) 2016-10-06 — — 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 (2 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-10294207-B2 Pyrazole derivatives as TNIK, IKKϵ and TBK1 inhibitor and pharmaceutical composition comprising same TNIK, TNNI3K, TNK1 AURKA 361/4885MAPT 1257/4885FLT3 1518/4885
US-20160289196-A1 PYRAZOLE DERIVATIVES AS TNIK, IKKe AND TBK1 INHIBITOR AND PHARMACEUTICAL COMPOSITION COMPRISING SAME TNIK, TNNI3K, TNK1 AURKA 374/4885MAPT 1200/4885FLT3 1550/4885

“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.

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