SCHEMBL18170632

SCHEMBL18170632

Nc1ccc(-c2ccco2)c2c1C(=O)NC2=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP2 O95551 2/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
MAPT P10636 2/20 0.40
RGS12 O14924 1/20 0.40
USP2 O75604 1/20 0.40
CYP1A2 P05177 1/20 0.40
POLB P06746 1/20 0.40
CYP3A4 P08684 1/20 0.40
PARP1 P09874 1/20 0.40
THRB P10828 1/20 0.40
CYP2C9 P11712 1/20 0.40
APEX1 P27695 1/20 0.40
CASP1 P29466 1/20 0.40
BRCA1 P38398 1/20 0.40
MTOR P42345 1/20 0.40
RECQL P46063 1/20 0.40
BLM P54132 1/20 0.40
CASP7 P55210 1/20 0.40
GNAI1 P63096 1/20 0.40

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
SCHEMBL3048546 0.77 KDR (0.45) TDP2MEN1KMT2AMAPTPARP1
SCHEMBL7429649 0.75 THRB (0.55) MEN1KMT2AMAPTRGS12USP2
SCHEMBL3037404 0.74 TDP2 (0.37) TDP2MEN1KMT2AMAPTUSP2
SCHEMBL18170525 0.72 MAOA (0.45) MEN1KMT2AMAPTRGS12USP2
SCHEMBL3047369 0.71 POLB (0.47) MEN1KMT2AMAPTPOLBTDP1
SCHEMBL1762773 0.70 CAMK2D (0.48) TDP2MEN1KMT2AMAPTUSP2
SCHEMBL16600588 0.68 TAAR1 (0.50) MEN1KMT2AMAPTUSP2POLB
SCHEMBL2008325 0.68 TAAR1 (0.45) MEN1KMT2AMAPTUSP2POLB
SCHEMBL7806624 0.67 PARP1 (0.47) TDP2MEN1KMT2AMAPTRGS12
SCHEMBL18170821 0.67 CHEK1 (0.46) MEN1KMT2AMAPTRGS12USP2

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 4 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-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 TDP2 807/4885MEN1 1064/4885KMT2A 1369/4885

“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.