SCHEMBL22166111

SCHEMBL22166111

CCCCCCc1ccnc(Br)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
PTGS2 P35354 3/20 0.43
ESR1 P03372 2/20 0.43
ADRA2A P08913 2/20 0.43
ADORA3 P0DMS8 2/20 0.43
TACR2 P21452 2/20 0.43
SLC6A2 P23975 2/20 0.43
SLC6A4 P31645 2/20 0.43
SLC6A3 Q01959 2/20 0.43
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 2/20 0.43
HSD17B10 Q99714 2/20 0.43
LMNA P02545 1/20 0.43
SHBG P04278 1/20 0.43
TP53 P04637 1/20 0.43
CYP3A4 P08684 1/20 0.43
HSPD1 P10809 1/20 0.43
ADRB3 P13945 1/20 0.43
HTR2C P28335 1/20 0.43

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
SCHEMBL3442793 1.00 TDP1 (0.43) TDP1L3MBTL1PTGS2ESR1ADRA2A
SCHEMBL19304183 1.00 TDP1 (0.43) TDP1L3MBTL1PTGS2ESR1ADRA2A
SCHEMBL3413456 1.00 TDP1 (0.43) TDP1L3MBTL1PTGS2ESR1ADRA2A
SCHEMBL2469700 0.98 TDP1 (0.44) TDP1L3MBTL1PTGS2ESR1ADRA2A
SCHEMBL3129833 0.93 SKP2 (0.46) TDP1L3MBTL1KDM4EALDH1A1LMNA
SCHEMBL1874470 0.85 NOS2 (0.39) L3MBTL1KDM4ELMNACYP3A4MAPT
SCHEMBL3442342 0.83 PTGS2 (0.39) TDP1L3MBTL1PTGS2ESR1ADRA2A
SCHEMBL913250 0.81 TDP1 (0.46) TDP1L3MBTL1PTGS2ESR1ADRA2A
SCHEMBL7963811 0.81 TDP1 (0.46) TDP1L3MBTL1PTGS2ESR1ADRA2A
SCHEMBL1446914 0.81 TDP1 (0.46) TDP1L3MBTL1PTGS2ESR1ADRA2A

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-10695337-B2 Piperidin-4-yl azetidine derivatives as JAK1 inhibitors INCYTE HOLDINGS CORPORATION (US) 2020-06-30 US disclosed
CN-103666450-A Blue-light organic electrophosphorescence material, and preparation method and application thereof ZHOU MINGJIE 2014-03-26 CN 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 TDP1 2098/4885L3MBTL1 3775/4885PTGS2 563/4885

“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.