SCHEMBL18170764

SCHEMBL18170764

O=C(Nc1ccc(Cc2ccccc2)c2c1C(=O)NC2)c1ccc(F)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
KDR P35968 1/20 0.44
CASP3 P42574 1/20 0.44
HDAC1 Q13547 4/20 0.41
HDAC3 O15379 2/20 0.41
HDAC2 Q92769 2/20 0.41
NCOR2 Q9Y618 2/20 0.41
PPM1D O15297 1/20 0.40
NPC1 O15118 4/20 0.40
RAB9A P51151 4/20 0.40
MAPT P10636 1/20 0.40
ALDH1A1 P00352 3/20 0.40
GLA P06280 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
TDP1 Q9NUW8 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
POLB P06746 2/20 0.38
KCNK3 O14649 1/20 0.38
KCNK9 Q9NPC2 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
SCHEMBL18170646 0.83 CASP3 (0.43) MEN1KMT2AKDRCASP3HDAC1
SCHEMBL18170461 0.81 MEN1 (0.52) MEN1KMT2AKDRCASP3HDAC1
SCHEMBL18170664 0.81 KDR (0.61) MEN1KMT2AKDRCASP3HDAC1
SCHEMBL18170487 0.81 KDR (0.54) MEN1KMT2AKDRCASP3MAPT
SCHEMBL18170689 0.80 CASP3 (0.46) MEN1KMT2AKDRCASP3HDAC1
SCHEMBL18170584 0.80 ALDH1A1 (0.60) MEN1KMT2AKDRCASP3HDAC1
SCHEMBL18170783 0.79 KCNMA1 (0.51) MEN1KMT2AKDRCASP3HDAC1
SCHEMBL18170598 0.79 KDR (0.66) MEN1KMT2AKDRCASP3HDAC1
SCHEMBL18170549 0.79 KDR (0.53) MEN1KMT2AKDRCASP3HDAC1
SCHEMBL18170467 0.79 MEN1 (0.48) MEN1KMT2AKDRCASP3NPC1

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 1369/4885KDR 1662/4885

“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.