SCHEMBL3105832

SCHEMBL3105832

Cc1nc2c(-c3nnco3)cccc2n1-c1cnc(NC(=O)c2c(F)cccc2F)cn1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
IL2 P60568 12/20 0.41
JAK1 P23458 1/20 0.38
TYK2 P29597 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
STIM1 Q13586 2/20 0.37
ORAI1 Q96D31 2/20 0.37
ORAI2 Q96SN7 1/20 0.37
NOTUM Q6P988 1/20 0.35
RORC P51449 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
TNF P01375 1/20 0.33
PIK3R2 O00459 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
SCHEMBL3097793 0.83 IL2 (0.44) IL2MEN1KMT2ASTIM1ORAI1
SCHEMBL8055351 0.80 IL2 (0.42) IL2JAK1TYK2STIM1ORAI1
SCHEMBL2816312 0.74 IL2 (0.50) IL2JAK1TYK2MEN1KMT2A
SCHEMBL3109398 0.74 IL2 (0.41) IL2MEN1KMT2ANOTUMRORC
SCHEMBL3105817 0.71 IL2 (0.41) IL2MEN1KMT2ASTIM1ORAI1
SCHEMBL3103400 0.71 RAB9A (0.45) IL2MEN1KMT2ARORCNPC1
SCHEMBL451062 0.69 IL2 (0.62) IL2
SCHEMBL647270 0.69 MEN1 (0.38) IL2MEN1KMT2ASTIM1ORAI1
SCHEMBL8069094 0.67 STIM1 (0.43) IL2MEN1KMT2ASTIM1ORAI1
SCHEMBL11911928 0.66 MEN1 (0.59) IL2JAK1TYK2MEN1KMT2A

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-20100273751-A1 SUBSTITUTED BENZOIMIDAZOLYL-PYRAZINE COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2010-10-28 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-20100273751-A1 SUBSTITUTED BENZOIMIDAZOLYL-PYRAZINE COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES NLRP3, IL5, NLRP1 IL2 9/4885JAK1 814/4885TYK2 231/4885

“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.