SCHEMBL18170736

SCHEMBL18170736

[c]1cc2cccnc2n1-c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.49
FEN1 P39748 1/20 0.39
LDHA P00338 1/20 0.38
ALDH1A1 P00352 4/20 0.38
CYP2C19 P33261 3/20 0.38
TSHR P16473 2/20 0.38
MAPT P10636 3/20 0.34
LMNA P02545 2/20 0.34
CYP3A4 P08684 2/20 0.34
CYP2D6 P10635 2/20 0.34
MEN1 O00255 1/20 0.34
CYP1A2 P05177 1/20 0.34
KMT2A Q03164 1/20 0.34
ATM Q13315 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
HTR3E A5X5Y0 1/20 0.34
HTR3B O95264 1/20 0.34
HTR3A P46098 1/20 0.34
HTR3D Q70Z44 1/20 0.34
HTR3C Q8WXA8 1/20 0.34

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
SCHEMBL2067263 0.72 KDM4E (0.41) KDM4EFEN1ALDH1A1CYP2C19TSHR
SCHEMBL7807919 0.71 ALDH1A1 (0.48) KDM4EFEN1LDHAALDH1A1CYP2C19
SCHEMBL718221 0.71 KDM4E (0.37) KDM4EALDH1A1TSHRLMNAKMT2A
SCHEMBL7837631 0.69 KDM4E (0.42) KDM4EFEN1LDHAALDH1A1CYP2C19
SCHEMBL1150333 0.67 CDC7 (0.54) KDM4ELDHAALDH1A1CYP2C19TSHR
SCHEMBL30828406 0.67 CDC7 (0.54) KDM4ELDHAALDH1A1CYP2C19TSHR
SCHEMBL539236 0.66 KDM4D (0.35) KDM4EALDH1A1CYP2C19TSHRMAPT
SCHEMBL4201391 0.66 KDM4E (1.00) KDM4EALDH1A1CYP2C19TSHRMAPT
SCHEMBL11056945 0.63 CDK4 (0.51) KDM4EFEN1LDHAALDH1A1CYP2C19
SCHEMBL29462614 0.63 KDM4E (0.56) KDM4EFEN1LDHAALDH1A1CYP2C19

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-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

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 KDM4E 2051/4885FEN1 4011/4885LDHA 4499/4885

“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.