SCHEMBL21733034

SCHEMBL21733034

CCN1CCC(OCCO)CC1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.41
HRH3 Q9Y5N1 1/20 0.39
NPC1 O15118 1/20 0.38
CHRM3 P20309 1/20 0.37
HSD11B1 P28845 1/20 0.33
LIPG Q9Y5X9 1/20 0.32
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
KDM4E B2RXH2 1/20 0.31
MAPT P10636 1/20 0.31
TSHR P16473 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CYP2D6 P10635 1/20 0.31
RAB9A P51151 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
SCHEMBL15833659 0.89 LIPG (0.35) SMN1; SMN2HRH3NPC1CHRM3LIPG
SCHEMBL22852605 0.84 HRH3 (0.39) SMN1; SMN2HRH3NPC1CHRM3KDM4E
SCHEMBL17285631 0.83 HRH3 (0.41) SMN1; SMN2HRH3NPC1CHRM3HSD11B1
SCHEMBL22793895 0.80 HRH3 (0.42) SMN1; SMN2HRH3NPC1LIPGMEN1
SCHEMBL24661412 0.80 SMN1; SMN2 (0.41) SMN1; SMN2HRH3NPC1CHRM3HSD11B1
SCHEMBL3425518 0.79 NPC1 (0.41) SMN1; SMN2HRH3NPC1CHRM3LIPG
SCHEMBL7903518 0.79 HRH3 (0.43) SMN1; SMN2HRH3NPC1CHRM3HSD11B1
SCHEMBL22852602 0.78 NPC1 (0.42) SMN1; SMN2HRH3NPC1HSD11B1KDM4E
SCHEMBL23560002 0.77 CARM1 (0.44) HRH3
SCHEMBL23384465 0.76 HRH3 (0.36) SMN1; SMN2HRH3NPC1MEN1KMT2A

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-11168090-B2 Substituted pyrazolo[1,5-a]pyrazines as RET kinase inhibitors ARRAY BIOPHARMA INC. (US) 2021-11-09 US disclosed
US-20200055860-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRAZINE COMPOUNDS AS RET KINASE INHIBITORS ARRAY BIOPHARMA INC 2020-02-20 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-20200055860-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRAZINE COMPOUNDS AS RET KINASE INHIBITORS RET, BRAF, ROR1 SMN1; SMN2 1094/4885HRH3 1469/4885NPC1 4274/4885
US-11168090-B2 Substituted pyrazolo[1,5-a]pyrazines as RET kinase inhibitors RET, BRAF, ROR1 SMN1; SMN2 1115/4885HRH3 1487/4885NPC1 4324/4885

“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.