SCHEMBL31247752

SCHEMBL31247752

[2H]c1cc(C(F)(F)F)ccn1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 5/20 0.54
ALDH1A1 P00352 2/20 0.40
TSHR P16473 1/20 0.40
RAB9A P51151 3/20 0.39
USP2 O75604 1/20 0.39
NOS3 P29474 1/20 0.39
NOS2 P35228 1/20 0.39
S1PR1 P21453 1/20 0.36
S1PR3 Q99500 1/20 0.36
CYP19A1 P11511 1/20 0.34
NAMPT P43490 1/20 0.34
NPC1 O15118 2/20 0.33
CES2 O00748 1/20 0.33
CES1 P23141 1/20 0.33
NISCH Q9Y2I1 1/20 0.33
ORAI1 Q96D31 1/20 0.33
ORAI2 Q96SN7 1/20 0.33
ORAI3 Q9BRQ5 1/20 0.33
TRPV6 Q9H1D0 1/20 0.33
CHUK O15111 1/20 0.33

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
SCHEMBL173641 0.84 KIF11 (0.70) KIF11ALDH1A1TSHRRAB9AUSP2
Bromide SCHEMBL28026302 0.82 KIF11 (0.67) KIF11ALDH1A1TSHRRAB9AUSP2
Hydrochloric Acid SCHEMBL7816092 0.82 KIF11 (0.67) KIF11ALDH1A1TSHRRAB9AUSP2
Ammonia Solution, Strong SCHEMBL28086851 0.82 KIF11 (0.67) KIF11ALDH1A1TSHRRAB9AUSP2
Fluoride SCHEMBL17966118 0.79 KIF11 (0.64) KIF11ALDH1A1TSHRRAB9AUSP2
Cyclohexane SCHEMBL28283907 0.77 KIF11 (0.61) KIF11ALDH1A1TSHRRAB9AUSP2
SCHEMBL17966120 0.77 KIF11 (0.61) KIF11ALDH1A1TSHRRAB9AUSP2
SCHEMBL9952289 0.75 KIF11 (0.65) KIF11ALDH1A1TSHRRAB9AUSP2
SCHEMBL21490758 0.75 KIF11 (0.58) KIF11ALDH1A1TSHRRAB9AUSP2
SCHEMBL29091784 0.71 KIF11 (0.54) KIF11RAB9AUSP2CYP19A1NAMPT

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-20250011330-A1 Imidazo[1,2- a]pyrazine and Imidazo[1,2- a]pyridine Based Tyrosyl-DNA Phosphodiesterase I (TDP1) Inhibitors LEIDOS BIOMEDICAL RESEARCH INC. 2025-01-09 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-20250011330-A1 Imidazo[1,2- a]pyrazine and Imidazo[1,2- a]pyridine Based Tyrosyl-DNA Phosphodiesterase I (TDP1) Inhibitors TDP1, TDP2, TOP1 KIF11 2384/4885ALDH1A1 769/4885TSHR 3897/4885

“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.