SCHEMBL12985115

SCHEMBL12985115

COCc1cc(C(=O)O)nn1C

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 2/20 0.47
RIPK1 Q13546 1/20 0.39
NTRK1 P04629 1/20 0.38
CHRM3 P20309 1/20 0.37
HCAR3 P49019 1/20 0.35
RPA1 P27694 1/20 0.35
KDM4E B2RXH2 4/20 0.34
POLB P06746 3/20 0.34
TDP1 Q9NUW8 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
GRN P28799 1/20 0.34
SORT1 Q99523 1/20 0.34
BAZ2B Q9UIF8 1/20 0.34
LMNA P02545 1/20 0.34
ALDH1A1 P00352 3/20 0.34
GAA P10253 2/20 0.34
FFAR1 O14842 1/20 0.34
APOBEC3A P31941 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
SCHEMBL7697875 0.81 MPO (0.47) TDP1LMNAALDH1A1GAA
SCHEMBL8508062 0.80 HCAR2 (0.39) HCAR2RPA1KDM4EPOLBGRN
SCHEMBL3576265 0.80 HCAR2 (0.42) HCAR2HCAR3RPA1KDM4EPOLB
SCHEMBL15932199 0.79 MDM2 (0.43) CHRM3GRNSORT1ALDH1A1
SCHEMBL6442036 0.77 HCAR2 (0.45) HCAR2HCAR3KDM4EPOLBTDP1
SCHEMBL730888 0.76 MDM2 (0.36) HCAR2CHRM3HCAR3KDM4EPOLB
SCHEMBL11455736 0.75 KDM4E (0.34) HCAR2CHRM3RPA1KDM4EPOLB
SCHEMBL24131122 0.73 RIPK1 (0.49) HCAR2RIPK1RPA1GRNSORT1
SCHEMBL20521812 0.73 MPO (0.36) HCAR2CHRM3RPA1KDM4EPOLB
SCHEMBL8921837 0.73 HCAR2 (0.32) HCAR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2694509-B1 PYRROLO[2,3-D]PYRIMIDINE DERIVATIVES AS INHIBITORS OF TROPOMYOSIN-RELATED KINASES PFIZER LTD (GB) 2016-05-18 EP disclosed
EP-2694509-B1 PYRROLO[2,3-D]PYRIMIDINE DERIVATIVES AS INHIBITORS OF TROPOMYOSIN-RELATED KINASES PFIZER LTD (GB) 2016-05-18 EP disclosed
US-20140364415-A1 PYRROLO[2,3-d]PYRIMIDINE TROPOMYSIN-RELATED KINASE INHIBITORS PFIZER LIMITED (GB) 2014-12-11 US disclosed
US-20140364415-A1 PYRROLO[2,3-d]PYRIMIDINE TROPOMYSIN-RELATED KINASE INHIBITORS PFIZER LIMITED (GB) 2014-12-11 US disclosed
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-8846698-B2 Pyrrolo[2,3-d]pyrimidine tropomysin-related kinase inhibitors PFIZER LIMITED (US) 2014-09-30 US disclosed
US-8846698-B2 Pyrrolo[2,3-d]pyrimidine tropomysin-related kinase inhibitors PFIZER LIMITED (US) 2014-09-30 US disclosed
EP-2694509-A1 PYRROLO [2, 3 -D]PYRIMIDINE DERIVATIVES AS INHIBITORS OF TROPOMYOSIN- RELATED KINASES Pfizer Limited (GB) 2014-02-12 EP disclosed
WO-2012137089-A1 PYRROLO [2, 3 -D] PYRIMIDINE DERIVATIVES AS INHIBITORS OF TROPOMYOSIN- RELATED KINASES PFIZER LIMITED (GB) 2012-10-11 WO disclosed
US-20120258950-A1 PYRROLO[2,3-d]PYRIMIDINE TROPOMYSIN-RELATED KINASE INHIBITORS PFIZER LIMITED (GB) 2012-10-11 US disclosed
US-20120258950-A1 PYRROLO[2,3-d]PYRIMIDINE TROPOMYSIN-RELATED KINASE INHIBITORS PFIZER LIMITED (GB) 2012-10-11 US disclosed
WO-2012137089-A1 PYRROLO [2, 3 -D] PYRIMIDINE DERIVATIVES AS INHIBITORS OF TROPOMYOSIN- RELATED KINASES PFIZER LIMITED (GB) 2012-10-11 WO 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 HCAR2 3126/4885RIPK1 543/4885NTRK1 13/4885
US-20120258950-A1 PYRROLO[2,3-d]PYRIMIDINE TROPOMYSIN-RELATED KINASE INHIBITORS DMPK, DTYMK, MUSK HCAR2 3126/4885RIPK1 543/4885NTRK1 13/4885

“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.