SCHEMBL18170541

SCHEMBL18170541

O=C(Nc1ccc(Nc2ccccc2)c2c1C(=O)NC2)c1ccc(NCCN2CCCCC2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 1/20 0.45
TNIK Q9UKE5 1/20 0.44
POLB P06746 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
CHRNA7 P36544 3/20 0.40
KCNH2 Q12809 3/20 0.40
ESRRG P62508 2/20 0.40
TYK2 P29597 2/20 0.39
CYP1A2 P05177 2/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
EPHX2 P34913 2/20 0.39
APP P05067 1/20 0.38
ALDH1A1 P00352 1/20 0.38
JAK2 O60674 1/20 0.38
JAK1 P23458 1/20 0.38
JAK3 P52333 1/20 0.38
NAMPT P43490 2/20 0.38
TSHR P16473 1/20 0.38

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
SCHEMBL18170837 1.00 KDR (0.45) KDRTNIKPOLBMEN1KMT2A
Hydrochloric Acid SCHEMBL18170880 0.99 KDR (0.44) KDRTNIKPOLBMEN1KMT2A
SCHEMBL18170490 0.99 KDR (0.45) KDRTNIKPOLBMEN1KMT2A
SCHEMBL18171026 0.95 CHRNA7 (0.47) KDRTNIKPOLBCHRNA7KCNH2
Hydrochloric Acid SCHEMBL18170815 0.94 CHRNA7 (0.46) KDRTNIKPOLBCHRNA7KCNH2
SCHEMBL18170863 0.94 CHRNA7 (0.45) KDRTNIKPOLBCHRNA7KCNH2
SCHEMBL18170465 0.92 KDR (0.46) KDRPOLBTYK2EPHX2ALDH1A1
SCHEMBL18170799 0.91 EPHX2 (0.50) KDRPOLBMEN1KMT2AEPHX2
SCHEMBL18170953 0.91 KDR (0.51) KDRTNIKPOLBALDH1A1
SCHEMBL18170631 0.90 ALDH1A1 (0.43) KDRTNIKMEN1KMT2ATYK2

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 1/4885POLB 2948/4885

“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.