SCHEMBL27428211

SCHEMBL27428211

CC(C)c1ccc(-c2cn(CCN)cn2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.39
JAK1 P23458 1/20 0.39
TYK2 P29597 1/20 0.39
JAK3 P52333 1/20 0.39
SYK P43405 3/20 0.39
ESRRG P62508 1/20 0.38
CYP3A4 P08684 2/20 0.37
CYP2C9 P11712 2/20 0.37
CYP2C19 P33261 2/20 0.37
CYP2E1 P05181 1/20 0.37
CYP2A6 P11509 1/20 0.37
CYP2B6 P20813 1/20 0.37
LMNA P02545 3/20 0.36
MAPT P10636 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
MEN1 O00255 1/20 0.36
MAPK1 P28482 1/20 0.36
KMT2A Q03164 1/20 0.36
RAB9A P51151 3/20 0.35
ALDH1A1 P00352 2/20 0.35

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
SCHEMBL27420837 0.86 KDM5A (0.45) SYKESRRGCYP3A4CYP2C9CYP2C19
SCHEMBL27073067 0.83 CYP2C9 (0.43) CYP3A4CYP2C9CYP2C19CYP2E1CYP2A6
Hydrochloric Acid SCHEMBL28812335 0.78 PDE10A (0.48) JAK2CYP3A4CYP2C9CYP2C19CYP2E1
SCHEMBL16606147 0.77 CYP2E1 (0.49) SYKESRRGCYP2C9CYP2C19CYP2E1
SCHEMBL7030913 0.74 TLR8 (0.41) CYP3A4CYP2C9CYP2C19CYP2E1CYP2A6
SCHEMBL6421708 0.73 TLR8 (0.42) SYKMAPTALDH1A1
SCHEMBL13723032 0.72 TLR8 (0.41) CYP3A4CYP2C9CYP2C19CYP2E1CYP2A6
SCHEMBL23376691 0.72 CPB2 (0.47) CYP2C9CYP2C19TDP1
SCHEMBL21759095 0.71 TGFBR1 (0.45)
SCHEMBL5924494 0.70 PDE10A (0.47) JAK2SYKCYP3A4CYP2C9CYP2C19

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-20240218011-A1 GLUCOCORTICOID RECEPTOR AGONISTS AND CONJUGATES THEREOF FIREFLY BIO, INC. 2024-07-04 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-20240218011-A1 GLUCOCORTICOID RECEPTOR AGONISTS AND CONJUGATES THEREOF NR3C1, NR3C2, MC2R JAK2 2178/4885JAK1 2943/4885TYK2 1101/4885

“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.