SCHEMBL23996271

SCHEMBL23996271

CC(NC(=O)C1CCN(C)CC1)c1ccc(F)cc1

nearest known ligand 0.62

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ACACB O00763 1/20 0.57
SMN1; SMN2 Q16637 2/20 0.55
HPGD P15428 2/20 0.55
GAA P10253 1/20 0.55
POLB P06746 1/20 0.55
RECQL P46063 1/20 0.54
TP53 P04637 1/20 0.52
ALDH1A1 P00352 1/20 0.51
MAPT P10636 1/20 0.49
LMNA P02545 1/20 0.49

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
SCHEMBL19200906 0.88 ACACB (0.71) ACACBSMN1; SMN2HPGDGAAPOLB
SCHEMBL20412852 0.88 ACACB (0.56) ACACBSMN1; SMN2HPGDGAAPOLB
SCHEMBL13745505 0.86 RECQL (0.73) ACACBSMN1; SMN2HPGDGAAPOLB
SCHEMBL6457656 0.84 POLB (0.71) ACACBSMN1; SMN2HPGDGAAPOLB
SCHEMBL527596 0.84 POLB (0.71) ACACBSMN1; SMN2HPGDGAAPOLB
SCHEMBL6922906 0.84 POLB (0.71) ACACBSMN1; SMN2HPGDGAAPOLB
SCHEMBL23366573 0.83 DRD2 (0.60) GAARECQLTP53ALDH1A1LMNA
SCHEMBL516876 0.82 ACACB (0.62) ACACBSMN1; SMN2HPGDGAAPOLB
SCHEMBL516877 0.82 ACACB (0.62) ACACBSMN1; SMN2HPGDGAAPOLB
Hydrochloric Acid SCHEMBL1953975 0.81 ACACB (0.61) ACACBSMN1; SMN2HPGDGAAPOLB

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 1 patent. 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-11168090-B2 Substituted pyrazolo[1,5-a]pyrazines as RET kinase inhibitors RET, BRAF, ROR1 ACACB 4807/4885SMN1; SMN2 1115/4885HPGD 4011/4885

“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.