SCHEMBL20381995

SCHEMBL20381995

CC1(C(=O)NCCC(F)(F)F)CCN(S)CC1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RET P07949 1/20 0.37
DRD2 P14416 2/20 0.34
DRD4 P21917 2/20 0.34
CHRM4 P08173 3/20 0.34
CYP3A4 P08684 1/20 0.33
CYP2C19 P33261 1/20 0.33
LMNA P02545 1/20 0.33
HPGD P15428 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TRPA1 O75762 1/20 0.32
JAK2 O60674 1/20 0.31
JAK1 P23458 1/20 0.31
JAK3 P52333 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
SCHEMBL18390115 0.86 RET (0.39) RETDRD2DRD4CHRM4CYP3A4
SCHEMBL17531283 0.85 CYP3A4 (0.40) RETDRD2DRD4CHRM4CYP3A4
SCHEMBL20328006 0.83 TRPA1 (0.36) RETDRD2DRD4CHRM4CYP3A4
SCHEMBL20353623 0.82 TRPA1 (0.37) RETDRD2DRD4CHRM4CYP3A4
SCHEMBL29516567 0.80 CYP3A4 (0.36) RETDRD2DRD4CYP3A4CYP2C19
SCHEMBL19199138 0.76 CYP3A4 (0.46) DRD2DRD4CHRM4CYP3A4CYP2C19
SCHEMBL20148017 0.72 SMN1; SMN2 (0.43) RETCYP3A4LMNAHPGDSMN1; SMN2
SCHEMBL20069764 0.70 JAK2 (0.42) RETDRD2DRD4CHRM4LMNA
SCHEMBL18390143 0.69 RET (0.41) RETDRD2DRD4
SCHEMBL17340074 0.68 DGAT1 (0.34) CYP3A4CYP2C19LMNAHPGDSMN1; SMN2

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-10023570-B2 Substituted pyrazolo[1,5-A]pyridine compounds as RET kinase inhibitors ARRAY BIOPHARMA INC. (US) 2018-07-17 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-10023570-B2 Substituted pyrazolo[1,5-A]pyridine compounds as RET kinase inhibitors RET, ROR1, BRAF RET 1/4885DRD2 2385/4885DRD4 1743/4885

“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.