SCHEMBL18170822

SCHEMBL18170822

O=C(Nc1ccc(-c2cc3ccccc3o2)c2c1C(=O)NC2)c1ccc(NCCN2CCCC2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 2/20 0.43
TNIK Q9UKE5 1/20 0.41
MAPT P10636 6/20 0.38
KDM4E B2RXH2 4/20 0.38
LMNA P02545 3/20 0.38
HPGD P15428 2/20 0.38
ALDH1A1 P00352 2/20 0.38
USP2 O75604 1/20 0.38
MAPK1 P28482 1/20 0.38
HKDC1 Q2TB90 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
TOP2A P11388 1/20 0.38
KMT2A Q03164 4/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
HTT P42858 2/20 0.37
MEN1 O00255 2/20 0.37
GAA P10253 1/20 0.37
TP53 P04637 2/20 0.37
MCHR1 Q99705 1/20 0.36
NPC1 O15118 4/20 0.36

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
SCHEMBL18170714 0.85 KDR (0.44) KDRTNIKKDM4EHPGDALDH1A1
SCHEMBL18170443 0.84 KDR (0.55) KDRTNIKCHRNA7KCNH2
SCHEMBL18170493 0.84 KDR (0.44) KDRTNIKKDM4EHPGDALDH1A1
SCHEMBL18170494 0.84 KDR (0.44) KDRTNIKKDM4EHPGDALDH1A1
SCHEMBL18170539 0.84 KDR (0.54) KDRTNIKCHRNA7KCNH2
SCHEMBL18170931 0.84 KDR (0.54) KDRTNIKCHRNA7KCNH2
SCHEMBL18170565 0.82 KDR (0.44) KDRTNIKMAPTKDM4EHPGD
Hydrochloric Acid SCHEMBL18170910 0.81 KDR (0.44) KDRTNIKMAPTKDM4EHPGD
SCHEMBL18170492 0.80 KDR (0.43) KDRMAPTCYP3A4CHRNA7KCNH2
SCHEMBL18170557 0.80 SMN1; SMN2 (0.47) KDRHPGDALDH1A1SMN1; SMN2MCHR1

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 1662/4885TNIK 1/4885MAPT 1133/4885

“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.