SCHEMBL12985373

SCHEMBL12985373

O=C(O)Cc1cccc(OC2CC2)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 2/20 0.53
KCNH2 Q12809 4/20 0.49
CCR3 P51677 1/20 0.49
OPRK1 P41145 4/20 0.49
DGAT1 O75907 1/20 0.48
AKR1B1 P15121 1/20 0.46
THRA P10827 1/20 0.46
THRB P10828 1/20 0.46
GFRA3 O60609 1/20 0.45
RET P07949 1/20 0.45
PPARD Q03181 1/20 0.45
FFAR1 O14842 1/20 0.45
OPRM1 P35372 3/20 0.44
OPRD1 P41143 2/20 0.44
PLA2G4B P0C869 1/20 0.44
HDAC4 P56524 2/20 0.44
MEF2D Q14814 2/20 0.44
PTGDR2 Q9Y5Y4 1/20 0.43
EP300 Q09472 1/20 0.42
EPHX2 P34913 1/20 0.42

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
SCHEMBL3965935 0.94 THRA (0.54) HRH1KCNH2CCR3OPRK1DGAT1
SCHEMBL5931995 0.87 OPRK1 (0.51) HRH1KCNH2CCR3OPRK1DGAT1
SCHEMBL30337599 0.84 HRH1 (0.43) HRH1KCNH2CCR3OPRK1DGAT1
SCHEMBL21807100 0.83 POLB (0.50) HRH1OPRK1HDAC4MEF2DEP300
SCHEMBL15152797 0.82 ACSL1 (0.51) HRH1OPRK1
SCHEMBL15152795 0.82 ACSL1 (0.51) HRH1OPRK1
SCHEMBL3964624 0.81 CYP19A1 (0.54) HRH1OPRK1HDAC4MEF2D
SCHEMBL16370048 0.80 GRIK1 (0.49) HRH1KCNH2DGAT1
SCHEMBL12985424 0.80 EPHX2 (0.54) HRH1KCNH2CCR3AKR1B1THRA
SCHEMBL16902901 0.80 HRH1 (0.48) HRH1KCNH2OPRK1OPRM1OPRD1

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
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
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
WO-2012137089-A1 PYRROLO [2, 3 -D] PYRIMIDINE DERIVATIVES AS INHIBITORS OF TROPOMYOSIN- RELATED KINASES PFIZER LIMITED (GB) 2012-10-11 WO 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 HRH1 3128/4885KCNH2 2826/4885CCR3 2272/4885
US-20120258950-A1 PYRROLO[2,3-d]PYRIMIDINE TROPOMYSIN-RELATED KINASE INHIBITORS DMPK, DTYMK, MUSK HRH1 3128/4885KCNH2 2826/4885CCR3 2272/4885

“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.