SCHEMBL17358804

SCHEMBL17358804

O=[N+]([O-])c1ccc(N2CCCC2c2cccc(F)c2)cn1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.46
CHRNB2 P17787 3/20 0.44
CHRNA4 P43681 3/20 0.44
NTRK1 P04629 6/20 0.43
NTRK3 Q16288 4/20 0.43
NTRK2 Q16620 4/20 0.43
JAK2 O60674 3/20 0.43
INSR P06213 1/20 0.43
LYN P07948 1/20 0.43
RET P07949 1/20 0.43
MET P08581 1/20 0.43
ROS1 P08922 1/20 0.43
FGR P09769 1/20 0.43
KIT P10721 1/20 0.43
FGFR4 P22455 1/20 0.43
FGFR3 P22607 1/20 0.43
TIE1 P35590 1/20 0.43
KDR P35968 1/20 0.43
FLT3 P36888 1/20 0.43
ALK Q9UM73 1/20 0.43

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
SCHEMBL17352968 0.83 MAPT (0.46) MAPTNTRK1JAK2
SCHEMBL17352966 0.83 MAPT (0.46) MAPTNTRK1JAK2
SCHEMBL21723176 0.81 NTRK1 (0.47) NTRK1NTRK3NTRK2JAK2INSR
SCHEMBL17358803 0.81 NTRK1 (0.47) NTRK1NTRK3NTRK2JAK2INSR
SCHEMBL17352919 0.80 MAPT (0.48) MAPTCHRNB2CHRNA4NTRK1JAK2
SCHEMBL21732185 0.78 NTRK1 (0.51) NTRK1NTRK3NTRK2JAK2INSR
SCHEMBL21723138 0.76 NTRK1 (0.52) NTRK1NTRK3NTRK2JAK2INSR
SCHEMBL21732105 0.76 NTRK1 (0.52) NTRK1NTRK3NTRK2JAK2INSR
SCHEMBL21732256 0.75 NTRK1 (0.47) NTRK1NTRK3NTRK2JAK2INSR
SCHEMBL17353202 0.75 POLB (0.42) MAPTCHRNB2CHRNA4NTRK1ROS1

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-9782391-B2 Substituted imidazo[1,2-a]pyridine compounds as tropomyosin receptor kinase a (TrkA) inhibitors DR. REDDY'S LABORATORIES LTD. (IN) 2017-10-10 US disclosed
US-20160279109-A1 SUBSTITUTED IMIDAZO[1,2-a]PYRIDINE COMPOUNDS AS TROPOMYOSIN RECEPTOR KINASE A (TrkA) INHIBITORS DR. REDDY'S LABORATORIES LTD. (IN) 2016-09-29 US disclosed
US-9394305-B2 Substituted imidazo[1,2-a]pyridine compounds as tropomyosin receptor kinase a (TrkA) inhibitors DR. REDDY'S LABORATORIES LTD. (IN) 2016-07-19 US disclosed
US-20150368238-A1 SUBSTITUTED IMIDAZO[1,2-a]PYRIDINE COMPOUNDS AS TROPOMYOSIN RECEPTOR KINASE A (TrkA) INHIBITORS DR. REDDY'S LABORATORIES LTD. (IN) 2015-12-24 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 (2 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-20160279109-A1 SUBSTITUTED IMIDAZO[1,2-a]PYRIDINE COMPOUNDS AS TROPOMYOSIN RECEPTOR KINASE A (TrkA) INHIBITORS NTRK1, NTRK3, MUSK MAPT 572/4885CHRNB2 717/4885CHRNA4 750/4885
US-20150368238-A1 SUBSTITUTED IMIDAZO[1,2-a]PYRIDINE COMPOUNDS AS TROPOMYOSIN RECEPTOR KINASE A (TrkA) INHIBITORS NTRK1, NTRK3, MUSK MAPT 572/4885CHRNB2 717/4885CHRNA4 750/4885

“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.