SCHEMBL12985369

SCHEMBL12985369

COc1ccc2c(ccn2CC(N)=O)n1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 1/20 0.42
NNMT P40261 3/20 0.41
MTNR1A P48039 5/20 0.40
MTNR1B P49286 5/20 0.40
POLB P06746 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
FAAH O00519 1/20 0.35
ALDH1A1 P00352 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
LMNA P02545 1/20 0.33
CNR2 P34972 1/20 0.33
PDE10A Q9Y233 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
SCHEMBL24110592 0.78 MTNR1A (0.37) NTRK1NNMTMTNR1AMTNR1BPDE10A
SCHEMBL5370815 0.77 NTRK1 (0.39) NTRK1MTNR1AMTNR1BALDH1A1L3MBTL1
SCHEMBL25296265 0.75 HTR2C (0.57)
SCHEMBL24110207 0.75 HTR2C (0.57)
SCHEMBL25294341 0.74 NTRK1 (0.40) NTRK1NNMTMTNR1AMTNR1BPOLB
SCHEMBL25255161 0.74 NTRK1 (0.40) NTRK1NNMTMTNR1AMTNR1BPOLB
SCHEMBL24109813 0.72 HTR2C (0.52) MTNR1AMTNR1B
SCHEMBL31200378 0.72 BRD4 (0.44) NTRK1MTNR1AMTNR1B
SCHEMBL12011233 0.72 NNMT (0.35) NNMTMTNR1AMTNR1BPOLBTDP1
SCHEMBL5369243 0.71 CDK4 (0.36) NTRK1MTNR1AMTNR1BLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140364415-A1 PYRROLO[2,3-d]PYRIMIDINE TROPOMYSIN-RELATED KINASE INHIBITORS PFIZER LIMITED (GB) 2014-12-11 US disclosed
US-8846698-B2 Pyrrolo[2,3-d]pyrimidine tropomysin-related kinase inhibitors PFIZER LIMITED (US) 2014-09-30 US disclosed
US-20120258950-A1 PYRROLO[2,3-d]PYRIMIDINE TROPOMYSIN-RELATED KINASE INHIBITORS PFIZER LIMITED (GB) 2012-10-11 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-20140364415-A1 PYRROLO[2,3-d]PYRIMIDINE TROPOMYSIN-RELATED KINASE INHIBITORS DMPK, DTYMK, MUSK NTRK1 13/4885NNMT 764/4885MTNR1A 1464/4885
US-20120258950-A1 PYRROLO[2,3-d]PYRIMIDINE TROPOMYSIN-RELATED KINASE INHIBITORS DMPK, DTYMK, MUSK NTRK1 13/4885NNMT 764/4885MTNR1A 1464/4885

“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.