SCHEMBL22166129

SCHEMBL22166129

CCCCCCc1cc(Br)nc(Br)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 4/20 0.53
CYP3A4 P08684 2/20 0.50
GPR84 Q9NQS5 2/20 0.44
ESR1 P03372 2/20 0.44
ADRA2A P08913 2/20 0.44
ADORA3 P0DMS8 2/20 0.44
TACR2 P21452 2/20 0.44
SLC6A2 P23975 2/20 0.44
SLC6A4 P31645 2/20 0.44
SLC6A3 Q01959 2/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
SHBG P04278 1/20 0.44
TP53 P04637 1/20 0.44
HSPD1 P10809 1/20 0.44
ADRB3 P13945 1/20 0.44
HTR2C P28335 1/20 0.44
HSPE1 P61604 1/20 0.44
HIF1A Q16665 1/20 0.44

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
SCHEMBL19304377 1.00 PTGS2 (0.53) PTGS2CYP3A4GPR84ESR1ADRA2A
SCHEMBL3442866 1.00 PTGS2 (0.53) PTGS2CYP3A4GPR84ESR1ADRA2A
SCHEMBL24156678 0.80 RAB9A (0.46) PTGS2CYP3A4GPR84LMNATP53
SCHEMBL7628223 0.79 PTGS2 (0.70) PTGS2CYP3A4GPR84ESR1ADRA2A
SCHEMBL9122379 0.79 PTGS2 (0.70) PTGS2CYP3A4GPR84ESR1ADRA2A
SCHEMBL8560359 0.79 PTGS2 (0.70) PTGS2CYP3A4GPR84ESR1ADRA2A
SCHEMBL22734898 0.78 PTGS2 (0.57) PTGS2CYP3A4GPR84ESR1ADRA2A
SCHEMBL22734896 0.78 PTGS2 (0.57) PTGS2CYP3A4GPR84ESR1ADRA2A
SCHEMBL21113491 0.78 PTGS2 (0.57) PTGS2CYP3A4GPR84ESR1ADRA2A
SCHEMBL16588813 0.78 PTGS2 (0.57) PTGS2CYP3A4GPR84ESR1ADRA2A

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-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 (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-10695337-B2 Piperidin-4-yl azetidine derivatives as JAK1 inhibitors JAK1, JAK2, JAK3 PTGS2 563/4885CYP3A4 2834/4885GPR84 2105/4885

“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.