SCHEMBL16309079

SCHEMBL16309079

c1cc2c(c(C3=NCCC3)c1)OCCO2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK2 O96017 1/20 0.38
ITGB2 P05107 1/20 0.36
ICAM1 P05362 1/20 0.36
ITGAL P20701 1/20 0.36
CHRNB4 P30926 7/20 0.36
CHRNA3 P32297 7/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP1A2 P05177 1/20 0.36
THRB P10828 1/20 0.36
CYP2C19 P33261 1/20 0.36
ADRB1 P08588 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ADRA2A P08913 2/20 0.34
ADRA2B P18089 2/20 0.34
ADRA2C P18825 2/20 0.34
HRAS P01112 1/20 0.34
KRAS P01116 1/20 0.34
LMNA P02545 1/20 0.33
CRHBP P24387 1/20 0.33
HTT P42858 1/20 0.33

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
SCHEMBL22040164 0.87 CHEK1 (0.38) CHEK2CHRNB4CHRNA3ALDH1A1CYP1A2
SCHEMBL3072409 0.76 ITGB2 (0.55) CHEK2ITGB2ICAM1ITGALALDH1A1
SCHEMBL15017037 0.75 CHRNB4 (0.38) CHRNB4CHRNA3ALDH1A1
SCHEMBL17353047 0.71 CHRNB4 (0.43) CHRNB4CHRNA3
SCHEMBL21128796 0.69 MEN1 (0.41) CHEK2ITGB2ICAM1ITGALALDH1A1
SCHEMBL8714623 0.68 ITGB2 (0.50) CHEK2ITGB2ICAM1ITGALCHRNB4
SCHEMBL6962873 0.68 ROCK2 (0.48) CHEK2ITGB2ICAM1ITGALADRB1
SCHEMBL13861728 0.67 ITGB2 (0.48) CHEK2ITGB2ICAM1ITGALALDH1A1
SCHEMBL21198425 0.66 CHEK2 (0.39) CHEK2ITGB2ICAM1ITGALALDH1A1
SCHEMBL16730966 0.65 NOS3 (0.47) CHRNB4CHRNA3ALDH1A1CYP1A2THRB

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 CHEK2 297/4885ITGB2 3047/4885ICAM1 3695/4885
US-20160264572-A1 SUBSTITUTED PYRAZOLO[1,5-A] PYRIDINE AS TROPOMYOSIN RECEPTOR KINASE (TRK) INHIBITORS MUSK, DMPK, PNCK CHEK2 297/4885ITGB2 3047/4885ICAM1 3695/4885
US-20170267677-A1 SUBSTITUTED PYRAZOLO[1,5-A] PYRIDINE AS TROPOMYOSIN RECEPTOR KINASE (TRK) INHIBITORS MUSK, DMPK, PNCK CHEK2 297/4885ITGB2 3047/4885ICAM1 3695/4885
US-20140371217-A1 SUBSTITUTED PYRAZOLO[1,5-A] PYRIDINE AS TROPOMYOSIN RECEPTOR KINASE (TRK) INHIBITORS MUSK, DMPK, PNCK CHEK2 297/4885ITGB2 3047/4885ICAM1 3695/4885

“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.