SCHEMBL16309072

SCHEMBL16309072

CCOC(=O)c1cnn2ccc(Br)c(C)c12

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.49
ALDH1A1 P00352 7/20 0.46
HPGD P15428 3/20 0.46
RAB9A P51151 3/20 0.46
DRD2 P14416 1/20 0.45
DRD4 P21917 1/20 0.45
DRD3 P35462 1/20 0.45
TSHR P16473 3/20 0.45
NPC1 O15118 3/20 0.41
KDM4E B2RXH2 2/20 0.41
KMT2A Q03164 2/20 0.41
LMNA P02545 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
MAPT P10636 1/20 0.41
TP53 P04637 1/20 0.40
MAP2K1 Q02750 1/20 0.40
MEN1 O00255 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
SCHEMBL15017169 0.87 SMN1; SMN2 (0.47) SMN1; SMN2ALDH1A1HPGDRAB9ADRD2
SCHEMBL24713047 0.87 DRD2 (0.48) SMN1; SMN2ALDH1A1HPGDRAB9ADRD2
SCHEMBL16309064 0.86 SMN1; SMN2 (0.51) SMN1; SMN2ALDH1A1HPGDRAB9ADRD2
SCHEMBL12156377 0.86 KMT2A (0.43) SMN1; SMN2ALDH1A1HPGDRAB9ATSHR
SCHEMBL31280138 0.86 SMN1; SMN2 (0.46) SMN1; SMN2ALDH1A1HPGDRAB9ADRD2
SCHEMBL25786093 0.84 DRD2 (0.53) SMN1; SMN2ALDH1A1HPGDRAB9ADRD2
SCHEMBL18863880 0.84 ALDH1A1 (0.52) SMN1; SMN2ALDH1A1HPGDRAB9ADRD2
SCHEMBL26537904 0.84 SMN1; SMN2 (0.49) SMN1; SMN2ALDH1A1HPGDRAB9ADRD2
SCHEMBL24712976 0.84 SMN1; SMN2 (0.49) SMN1; SMN2ALDH1A1HPGDRAB9ADRD2
SCHEMBL25423311 0.82 ALDH1A1 (0.50) SMN1; SMN2ALDH1A1HPGDRAB9ADRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170267677-A1 SUBSTITUTED PYRAZOLO[1,5-A] PYRIDINE AS TROPOMYOSIN RECEPTOR KINASE (TRK) INHIBITORS DR. REDDY'S LABORATORIES LTD. (IN) 2017-09-21 US disclosed
US-9670207-B2 Substituted pyrazolo[1,5-a] pyridine as tropomyosin receptor kinase (Trk) inhibitors DR. REDDY'S LABORATORIES LTD. (IN) 2017-06-06 US disclosed
US-20160264572-A1 SUBSTITUTED PYRAZOLO[1,5-A] PYRIDINE AS TROPOMYOSIN RECEPTOR KINASE (TRK) INHIBITORS DR. REDDY'S LABORATORIES LTD. (IN) 2016-09-15 US disclosed
US-9402833-B2 Substituted pyrazolo[1,5-a] pyridine as tropomyosin receptor kinase (Trk) inhibitors DR. REDDY'S LABORATORIES LTD. (IN) 2016-08-02 US disclosed
US-20150258076-A1 SUBSTITUTED PYRAZOLO[1,5-A] PYRIDINE AS TROPOMYOSIN RECEPTOR KINASE (TRK) INHIBITORS DR. REDDY'S LABORATORIES LTD. (IN) 2015-09-17 US disclosed
US-9045478-B2 Substituted pyrazolo[1,5-a] pyridine as tropomyosin receptor kinase (Trk) inhibitors DR. REDDY'S LABORATORIES LTD. (IN) 2015-06-02 US disclosed
US-20140371217-A1 SUBSTITUTED PYRAZOLO[1,5-A] PYRIDINE AS TROPOMYOSIN RECEPTOR KINASE (TRK) INHIBITORS DR. REDDY'S LABORATORIES LTD. (IN) 2014-12-18 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 (4 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-20150258076-A1 SUBSTITUTED PYRAZOLO[1,5-A] PYRIDINE AS TROPOMYOSIN RECEPTOR KINASE (TRK) INHIBITORS MUSK, DMPK, PNCK SMN1; SMN2 2317/4885ALDH1A1 3267/4885HPGD 2423/4885
US-20160264572-A1 SUBSTITUTED PYRAZOLO[1,5-A] PYRIDINE AS TROPOMYOSIN RECEPTOR KINASE (TRK) INHIBITORS MUSK, DMPK, PNCK SMN1; SMN2 2317/4885ALDH1A1 3267/4885HPGD 2423/4885
US-20170267677-A1 SUBSTITUTED PYRAZOLO[1,5-A] PYRIDINE AS TROPOMYOSIN RECEPTOR KINASE (TRK) INHIBITORS MUSK, DMPK, PNCK SMN1; SMN2 2317/4885ALDH1A1 3267/4885HPGD 2423/4885
US-20140371217-A1 SUBSTITUTED PYRAZOLO[1,5-A] PYRIDINE AS TROPOMYOSIN RECEPTOR KINASE (TRK) INHIBITORS MUSK, DMPK, PNCK SMN1; SMN2 2317/4885ALDH1A1 3267/4885HPGD 2423/4885

“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.