SCHEMBL18171017

SCHEMBL18171017

O=C(Nc1ccc(Nc2ccccc2Cl)c2c1C(=O)NC2)c1ccc(F)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
CASP3 P42574 1/20 0.47
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
KDR P35968 1/20 0.42
SSTR3 P32745 1/20 0.42
ALDH1A1 P00352 2/20 0.42
GLA P06280 1/20 0.42
ATM Q13315 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
POLB P06746 2/20 0.41
HTR1F P30939 1/20 0.41
TSHR P16473 3/20 0.41
GAA P10253 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 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 0.87 MEN1 (0.48) MEN1KMT2ACASP3NPC1RAB9A
SCHEMBL18170461 0.86 MEN1 (0.52) MEN1KMT2ACASP3NPC1RAB9A
SCHEMBL18170515 0.85 MLYCD (0.47) MEN1KMT2ACASP3NPC1RAB9A
SCHEMBL18170549 0.84 KDR (0.53) MEN1KMT2ACASP3NPC1RAB9A
SCHEMBL18170925 0.83 CASP3 (0.47) MEN1KMT2ACASP3NPC1RAB9A
SCHEMBL18170762 0.82 KDR (0.47) MEN1KMT2ACASP3NPC1RAB9A
SCHEMBL18170709 0.82 RAB9A (0.50) MEN1KMT2ACASP3NPC1RAB9A
SCHEMBL18170636 0.82 NPC1 (0.46) MEN1KMT2ACASP3NPC1RAB9A
SCHEMBL18170828 0.82 AURKA (0.41) KDRALDH1A1SMN1; SMN2HPGD
SCHEMBL18170469 0.81 TNIK (0.42) MEN1KMT2AKDRALDH1A1SMN1; 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 MEN1 1064/4885KMT2A 1369/4885CASP3 2056/4885

“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.