SCHEMBL22166120

SCHEMBL22166120

CCCCCCC(CCC)c1ccc(F)cn1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
APLNR P35414 2/20 0.36
NR1I2 O75469 1/20 0.33
PSMD14 O00487 1/20 0.33
HSP90AA1 P07900 1/20 0.33
MMP2 P08253 1/20 0.33
MC4R P32245 1/20 0.33
RAD52 P43351 1/20 0.33
ESR1 P03372 1/20 0.32
ESR2 Q92731 1/20 0.32
CYP11B1 P15538 1/20 0.32
CYP11B2 P19099 1/20 0.32
SLC2A1 P11166 1/20 0.31
GCGR P47871 3/20 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
SCHEMBL18596818 0.97 APLNR (0.38) APLNRNR1I2PSMD14HSP90AA1MMP2
SCHEMBL23871060 0.97 APLNR (0.38) APLNRNR1I2PSMD14HSP90AA1MMP2
SCHEMBL18948485 0.97 APLNR (0.38) APLNRNR1I2PSMD14HSP90AA1MMP2
SCHEMBL18672471 0.95 APLNR (0.37) APLNRNR1I2PSMD14HSP90AA1MMP2
SCHEMBL25898707 0.95 APLNR (0.37) APLNRNR1I2PSMD14HSP90AA1MMP2
SCHEMBL20376381 0.94 APLNR (0.38) APLNRESR1ESR2CYP11B1CYP11B2
SCHEMBL19853068 0.90 APLNR (0.40) APLNRESR1ESR2CYP11B1CYP11B2
SCHEMBL19003492 0.90 APLNR (0.41) APLNRESR1ESR2CYP11B1CYP11B2
SCHEMBL21755153 0.84 ESR1 (0.40) APLNRNR1I2ESR1ESR2
SCHEMBL18948514 0.83 ESR1 (0.41) APLNRESR1ESR2CYP11B1CYP11B2

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-20230242546-A1 SUBSTITUTED PYRIDINES, PYRIDAZINES, PYRIMIDINES, AND 1,2,4-TRIAZINES AS TYK2 INHIBITORS SUDO BIOSCIENCES LIMITED (GB) 2023-08-03 US disclosed
US-10695337-B2 Piperidin-4-yl azetidine derivatives as JAK1 inhibitors INCYTE HOLDINGS CORPORATION (US) 2020-06-30 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-20230242546-A1 SUBSTITUTED PYRIDINES, PYRIDAZINES, PYRIMIDINES, AND 1,2,4-TRIAZINES AS TYK2 INHIBITORS TYK2, PDXK, JAK1 APLNR 4570/4885NR1I2 1974/4885PSMD14 3001/4885
US-10695337-B2 Piperidin-4-yl azetidine derivatives as JAK1 inhibitors JAK1, JAK2, JAK3 APLNR 1127/4885NR1I2 2566/4885PSMD14 592/4885

“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.