SCHEMBL18170925

SCHEMBL18170925

Cc1cccc(Nc2ccc(NC(=O)c3ccc(F)cc3)c3c2CNC3=O)c1C

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 1/20 0.47
KDR P35968 2/20 0.45
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
HTT P42858 1/20 0.43
MAPT P10636 3/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
TP53 P04637 2/20 0.41
PARP1 P09874 1/20 0.41
KDM4E B2RXH2 1/20 0.41
HTR1F P30939 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
KCNMA1 Q12791 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
SCHEMBL18170467 0.92 MEN1 (0.48) CASP3KDRMEN1KMT2AHTT
SCHEMBL18170515 0.84 MLYCD (0.47) CASP3KDRMEN1KMT2AHTT
SCHEMBL18171017 0.83 MEN1 (0.48) CASP3KDRMEN1KMT2AHTT
SCHEMBL18170792 0.83 CASP3 (0.47) CASP3KDRMEN1KMT2AHTT
SCHEMBL18170765 0.83 POLB (0.55) CASP3KDRMEN1KMT2AMAPT
SCHEMBL18171033 0.82 KDR (0.42) KDRMEN1KMT2AMAPTNPC1
SCHEMBL18170461 0.82 MEN1 (0.52) CASP3KDRMEN1KMT2ANPC1
SCHEMBL18170610 0.82 KDR (0.41) KDRMEN1KMT2AMAPTNPC1
SCHEMBL18170645 0.81 KDR (0.41) KDRMAPTSMN1; SMN2
SCHEMBL18171027 0.80 CHRNA7 (0.41) KDRMAPTSMN1; SMN2

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 CASP3 2056/4885KDR 1662/4885MEN1 1064/4885

“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.