SCHEMBL18170862

SCHEMBL18170862

O=C(Nc1ccc(-c2ccccc2)c2c1C(=O)NCC2)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDR P35968 2/20 0.56
PARP10 Q53GL7 2/20 0.50
PARP11 Q9NR21 2/20 0.50
CASP3 P42574 1/20 0.46
CA12 O43570 3/20 0.45
CA2 P00918 3/20 0.45
CA9 Q16790 3/20 0.45
PDE4B Q07343 5/20 0.44
MEN1 O00255 1/20 0.44
MMP14 P50281 1/20 0.44
KMT2A Q03164 1/20 0.44
CYP1A2 P05177 1/20 0.43
TSHR P16473 1/20 0.43
PARP1 P09874 1/20 0.42
CDC7 O00311 1/20 0.41
NTRK1 P04629 1/20 0.41

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
SCHEMBL18170527 0.92 KDR (0.49) KDRPARP10PARP11CASP3CA12
SCHEMBL18170638 0.89 KDR (0.56) KDRPARP10PARP11CA12CA2
SCHEMBL18171025 0.88 KDR (0.69) KDRCASP3CA12CA2CA9
SCHEMBL18170859 0.84 TSHR (0.55) KDRPARP10PARP11PDE4BMEN1
SCHEMBL18170814 0.82 KDR (0.46) KDRPDE4BNTRK1
SCHEMBL18170779 0.81 KDR (0.62) KDRCASP3KMT2APARP1
SCHEMBL18170725 0.81 KDR (0.64) KDRCASP3MEN1MMP14KMT2A
SCHEMBL18170598 0.80 KDR (0.66) KDRCASP3MEN1MMP14KMT2A
Hydrochloric Acid SCHEMBL18170518 0.80 KDR (0.63) KDRCASP3MEN1MMP14KMT2A
SCHEMBL18170451 0.80 KDR (0.66) KDRCASP3MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 1662/4885PARP10 2327/4885PARP11 2557/4885

“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.