SCHEMBL20660414

SCHEMBL20660414

Cc1cc(-c2ncc3cc(C(F)(F)F)ccc3n2)ccc1[N+](=O)[O-]

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.41
ALDH1A1 P00352 2/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
KDM4E B2RXH2 1/20 0.41
LCK P06239 4/20 0.39
KDR P35968 3/20 0.39
KIT P10721 2/20 0.39
SRC P12931 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
GAA P10253 2/20 0.39
FGFR4 P22455 2/20 0.39
MAPT P10636 2/20 0.39
LMNA P02545 1/20 0.39
HPGD P15428 1/20 0.39
MAPK1 P28482 1/20 0.38
RPS6KB2 Q9UBS0 1/20 0.37
ABL1 P00519 1/20 0.37
PDGFRA P16234 1/20 0.37

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
SCHEMBL20660743 0.83 NPC1 (0.41) CYP1A2ALDH1A1NPC1RAB9AMEN1
SCHEMBL30876115 0.80 LCK (0.45) ALDH1A1LCKKDRKITSRC
SCHEMBL20660638 0.80 LCK (0.45) ALDH1A1LCKKDRKITSRC
SCHEMBL20660563 0.78 LCK (0.43) LCKKDRKITSRCFGFR4
SCHEMBL30116105 0.78 LCK (0.43) LCKKDRKITSRCFGFR4
SCHEMBL3778792 0.77 MAPK1 (0.55) CYP1A2ALDH1A1KDM4EGAAMAPT
SCHEMBL30822033 0.77 MAPK1 (0.55) CYP1A2ALDH1A1KDM4EGAAMAPT
SCHEMBL20660440 0.76 RAB9A (0.40) CYP1A2ALDH1A1NPC1RAB9AMEN1
SCHEMBL20660457 0.76 PIK3CA (0.47) CYP1A2LCKKDRFGFR4JAK3
SCHEMBL11973313 0.75 DYRK1A (0.46) NPC1RAB9AKDM4EMEN1KMT2A

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11548867-B2 Amido compounds as AhR modulators IDEA YA BIOSCIENCES, INC. (US) 2023-01-10 US disclosed
US-11548867-B2 Amido compounds as AhR modulators IDEA YA BIOSCIENCES, INC. (US) 2023-01-10 US disclosed
US-20220340875-A1 METHODS OF CULTURING AND/OR EXPANDING STEM CELLS AND/OR LINEAGE COMMITTED PROGENITOR CELLS USING AMIDO COMPOUNDS IDEAYA BIOSCIENCES, INC. 2022-10-27 US disclosed
US-20210115016-A1 AMIDO COMPOUNDS AS AhR MODULATORS IDEAYA BIOSCIENCES, INC. 2021-04-22 US disclosed
US-20210115016-A1 AMIDO COMPOUNDS AS AhR MODULATORS IDEAYA BIOSCIENCES, INC. 2021-04-22 US disclosed
WO-2020018848-A1 METHODS OF CULTURING AND/OR EXPANDING STEM CELLS AND/OR LINEAGE COMMITTED PROGENITOR CELLS USING AMIDO COMPOUNDS IDEAYA BIOSCIENCES, INC. (US) 2020-01-23 WO disclosed
WO-2020018848-A1 METHODS OF CULTURING AND/OR EXPANDING STEM CELLS AND/OR LINEAGE COMMITTED PROGENITOR CELLS USING AMIDO COMPOUNDS IDEAYA BIOSCIENCES, INC. (US) 2020-01-23 WO disclosed
WO-2019018562-A1 AMIDO COMPOUNDS AS AhR MODULATORS IDEAYA BIOSCIENCES, INC. (US) 2019-01-24 WO 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 (3 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-20220340875-A1 METHODS OF CULTURING AND/OR EXPANDING STEM CELLS AND/OR LINEAGE COMMITTED PROGENITOR CELLS USING AMIDO COMPOUNDS AHR, MCL1, ARNT CYP1A2 511/4885ALDH1A1 172/4885NPC1 2588/4885
US-20210115016-A1 AMIDO COMPOUNDS AS AhR MODULATORS AHR, ARNT, RXRB CYP1A2 62/4885ALDH1A1 879/4885NPC1 1754/4885
US-11548867-B2 Amido compounds as AhR modulators AHR, ARNT, RXRB CYP1A2 62/4885ALDH1A1 879/4885NPC1 1754/4885

“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.