SCHEMBL30837752

SCHEMBL30837752

FC(F)(F)CNCC1CCOCC1

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 4/20 0.33
JAK2 O60674 3/20 0.32
JAK1 P23458 3/20 0.32
TYK2 P29597 3/20 0.32
JAK3 P52333 3/20 0.32
KCNH3 Q9ULD8 1/20 0.31
CYP2D6 P10635 2/20 0.31
CYP2C19 P33261 2/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.30
CYP2C9 P11712 1/20 0.30
PTGS1 P23219 1/20 0.30
PTGS2 P35354 1/20 0.30
CCR2 P41597 1/20 0.30

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
SCHEMBL4117086 0.84 JAK2 (0.38) JAK2JAK1TYK2JAK3CYP2D6
Hydrochloric Acid SCHEMBL5390694 0.82 JAK2 (0.37) JAK2JAK1TYK2JAK3CYP2D6
SCHEMBL28751639 0.80 ADH1B (0.41) JAK2JAK1TYK2JAK3CYP2D6
SCHEMBL5360130 0.79 KCNH3 (0.37) KCNH3
SCHEMBL4120441 0.78 ADH1B (0.45) CYP2D6
Hydrochloric Acid SCHEMBL5394673 0.78 ADH1B (0.40) JAK2JAK1TYK2JAK3
SCHEMBL28707592 0.76 NPC1 (0.34) KCNH3
SCHEMBL28722473 0.75 JAK2 (0.34) JAK2JAK1TYK2JAK3
SCHEMBL16480078 0.75 SAT1 (0.35) CNR2JAK2JAK1TYK2JAK3
SCHEMBL28722472 0.75 JAK2 (0.34) JAK2JAK1TYK2JAK3

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-12617797-B2 Substituted pyrazolo [1,5-a]pyrimidines having multimodal activity against pain ESTEVE PHARMACEUTICALS, S.A. (ES) 2026-05-05 US disclosed
US-20240059690-A1 PYRAZOLO[1,5-a]PYRIMIDINE DERIVATIVES HAVING MULTIMODAL ACTIVITY AGAINST PAIN ESTEVE PHARMACEUTICALS, S.A. (ES) 2024-02-22 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-20240059690-A1 PYRAZOLO[1,5-a]PYRIMIDINE DERIVATIVES HAVING MULTIMODAL ACTIVITY AGAINST PAIN SIGMAR1, OPRD1, P2RX3 CNR2 181/4885JAK2 1700/4885JAK1 1002/4885
US-12617797-B2 Substituted pyrazolo [1,5-a]pyrimidines having multimodal activity against pain SIGMAR1, OPRD1, OPRL1 CNR2 16/4885JAK2 3056/4885JAK1 2313/4885

“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.