SCHEMBL21919657

SCHEMBL21919657

O=C1C[C@@H]2CN(Cc3ccccc3)CCN2C1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.49
SMN1; SMN2 Q16637 2/20 0.48
TACR1 P25103 5/20 0.48
CHRM3 P20309 3/20 0.44
CHRM2 P08172 2/20 0.44
DRD2 P14416 1/20 0.44
DRD4 P21917 1/20 0.44
DRD3 P35462 1/20 0.44
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C19 P33261 1/20 0.43
ALDH1A1 P00352 1/20 0.43
ABCB1 P08183 1/20 0.43
RECQL P46063 1/20 0.43
MC4R P32245 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
SCHEMBL20594570 1.00 SIGMAR1 (0.49) SIGMAR1SMN1; SMN2TACR1CHRM3CHRM2
SCHEMBL20523462 0.87 TACR1 (0.50) SIGMAR1SMN1; SMN2TACR1CHRM3CHRM2
SCHEMBL4296370 0.86 GAA (0.47) SIGMAR1SMN1; SMN2DRD2ALDH1A1
SCHEMBL21852698 0.82 SIGMAR1 (0.49) SIGMAR1SMN1; SMN2TACR1DRD2DRD4
SCHEMBL20594812 0.82 SIGMAR1 (0.49) SIGMAR1SMN1; SMN2TACR1DRD2DRD4
SCHEMBL23415876 0.74 FUCA1 (0.42)
SCHEMBL23415856 0.74 FUCA1 (0.42)
SCHEMBL20522902 0.74 SIGMAR1 (0.46) SIGMAR1SMN1; SMN2TACR1DRD2DRD4
SCHEMBL6959368 0.74 FUCA1 (0.47) SIGMAR1SMN1; SMN2TACR1DRD2DRD4
SCHEMBL23225374 0.74 ALDH1A1 (0.58) SIGMAR1SMN1; SMN2CHRM3CYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11034698-B2 Pyrazolo[ 1,5a]pyrimidine derivatives as IRAK4 modulators GENENTECH, INC. (US) 2021-06-15 US disclosed
US-20200123166-A1 PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS GENENTECH, INC. (US) 2020-04-23 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-11034698-B2 Pyrazolo[ 1,5a]pyrimidine derivatives as IRAK4 modulators IRAK4, IRAK1, IRAK2 SIGMAR1 2713/4885SMN1; SMN2 2964/4885TACR1 4713/4885
US-20200123166-A1 PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS IRAK4, IRAK1, IRAK2 SIGMAR1 2713/4885SMN1; SMN2 2964/4885TACR1 4713/4885

“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.