SCHEMBL21989871

SCHEMBL21989871

CN1CCN(c2ccccc2-c2nn(COCC[Si](C)(C)C)c3cnc(Cl)nc23)CC1

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TLR9 Q9NR96 1/20 0.33
MET P08581 2/20 0.32
CNR2 P34972 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
HSD17B10 Q99714 1/20 0.31
HTR1A P08908 1/20 0.31
HTR1D P28221 1/20 0.31
HTR1B P28222 1/20 0.31
TNK2 Q07912 1/20 0.31
PTPN11 Q06124 1/20 0.31
F10 P00742 1/20 0.31
NCF1 P14598 1/20 0.31
AVPR2 P30518 1/20 0.31
AVPR1A P37288 1/20 0.31
HTR3A P46098 1/20 0.31
HRH4 Q9H3N8 1/20 0.31

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
SCHEMBL19948718 0.84 RET (0.40) TLR9METSMN1; SMN2CYP1A2CYP3A4
SCHEMBL19948747 0.75 DGAT1 (0.33) CNR2
SCHEMBL19949143 0.75 DGAT1 (0.33) HSD17B10
SCHEMBL30259749 0.74 DGAT1 (0.33)
SCHEMBL19948895 0.73 DGAT1 (0.35) CNR2
SCHEMBL27075020 0.73 DGAT1 (0.34)
SCHEMBL19967588 0.73 RET (0.39) TLR9METSMN1; SMN2CYP1A2CYP3A4
SCHEMBL24979363 0.72 ALOX5 (0.41) METSMN1; SMN2
SCHEMBL29486796 0.72 ALOX5 (0.41) METSMN1; SMN2
SCHEMBL30968077 0.72 DGAT1 (0.36)

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-11014929-B2 Pyrazolopyrimidine compounds and uses thereof INCYTE CORPORATION (US) 2021-05-25 US disclosed
US-20200172545-A1 PYRAZOLOPYRIMIDINE COMPOUNDS AND USES THEREOF INCYTE CORPORATION 2020-06-04 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-20200172545-A1 PYRAZOLOPYRIMIDINE COMPOUNDS AND USES THEREOF PDXK, PCK1, MAPKAPK5 TLR9 4761/4885MET 3795/4885CNR2 4748/4885
US-11014929-B2 Pyrazolopyrimidine compounds and uses thereof PDXK, PCK1, MAPKAPK5 TLR9 4761/4885MET 3795/4885CNR2 4748/4885

“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.