SCHEMBL21733079

SCHEMBL21733079

CC(S)N1CCN(C(=O)c2c(F)cccc2F)CC1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.61
HTT P42858 2/20 0.58
CYP1A2 P05177 1/20 0.56
CYP2C9 P11712 1/20 0.56
CYP2C19 P33261 1/20 0.56
ALDH1A1 P00352 4/20 0.54
KDM4E B2RXH2 1/20 0.54
TSHR P16473 2/20 0.48
KMT2A Q03164 2/20 0.48
ABL1 P00519 1/20 0.44
BCR P11274 1/20 0.44
PKM P14618 1/20 0.43
PKLR P30613 1/20 0.43
HPGD P15428 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
EPHX2 P34913 1/20 0.41
TP53 P04637 1/20 0.40
MEN1 O00255 1/20 0.40
MAPK1 P28482 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40

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
SCHEMBL18704970 0.88 LMNA (0.65) LMNAHTTCYP1A2CYP2C9CYP2C19
SCHEMBL26815339 0.81 LMNA (0.65) LMNAHTTCYP1A2CYP2C9CYP2C19
SCHEMBL18713064 0.79 LMNA (0.71) LMNAHTTCYP1A2CYP2C9CYP2C19
SCHEMBL18390530 0.79 LMNA (0.71) LMNAHTTCYP1A2CYP2C9CYP2C19
SCHEMBL20349547 0.78 CES2 (0.43) LMNAHTTCYP1A2CYP2C9CYP2C19
SCHEMBL14103288 0.77 LMNA (1.00) LMNAHTTCYP1A2CYP2C9CYP2C19
SCHEMBL24016846 0.75 LMNA (0.96) LMNAHTTCYP1A2CYP2C9CYP2C19
SCHEMBL20328139 0.75 LMNA (0.65) LMNAHTTCYP1A2CYP2C9CYP2C19
SCHEMBL21733088 0.74 CES2 (0.43) KMT2A
SCHEMBL3757672 0.73 LMNA (0.67) LMNAHTTCYP1A2CYP2C9CYP2C19

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 LMNA 2693/4885HTT 3810/4885CYP1A2 3675/4885
US-11168090-B2 Substituted pyrazolo[1,5-a]pyrazines as RET kinase inhibitors RET, BRAF, ROR1 LMNA 2727/4885HTT 3871/4885CYP1A2 3559/4885

“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.