SCHEMBL12796898

SCHEMBL12796898

CCc1cn(-c2ccc3c(c2)-c2ncc(NC(=O)c4c(F)cccc4F)nc2CCC3)cn1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ IL2 P60568 7/20 0.36
▸ RORC P51449 4/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ NPC1 O15118 2/20 0.34
▸ RAB9A P51151 2/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ HTR1F P30939 2/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ GFER P55789 1/20 0.33
▸ HTR1A P08908 1/20 0.33
▸ HTR1B P28222 1/20 0.33
▸ HTR2A P28223 1/20 0.33
▸ HTR2C P28335 1/20 0.33
▸ HTR2B P41595 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ ABL1 P00519 1/20 0.32

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
SCHEMBL12796909 0.90 GPR142 (0.37) IL2RORCMEN1KMT2ANPC1
SCHEMBL12797006 0.84 NPC1 (0.38) RORCMEN1KMT2ANPC1RAB9A
SCHEMBL12848757 0.79 MEN1 (0.43) IL2RORCMEN1KMT2ANPC1
SCHEMBL12848749 0.77 MAPT (0.34) ALDH1A1
SCHEMBL14222427 0.75 MEN1 (0.43) IL2RORCMEN1KMT2ANPC1
SCHEMBL12848953 0.74 ADORA2B (0.44) MEN1KMT2AALDH1A1GFERCYP1A2
SCHEMBL14172604 0.73 RAB9A (0.45) IL2MEN1KMT2ANPC1RAB9A
SCHEMBL12848964 0.70 MAPT (0.33) —
SCHEMBL12796745 0.69 NPC1 (0.46) RORCMEN1KMT2ANPC1RAB9A
SCHEMBL12796908 0.69 STIM1 (0.41) —

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110052643-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2011-03-03 — — US disclosed
US-20110052643-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2011-03-03 — — US disclosed
WO-2009089305-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2009-07-16 — — WO 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-20110052643-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES TSLP, NFATC1, IL5 IL2 5/4885RORC 28/4885MEN1 4414/4885

“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.

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