SCHEMBL12848953

SCHEMBL12848953

O=C(Nc1cnc2c(n1)CCCc1ccc(-c3cccnc3)cc1-2)c1c(F)cccc1F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA2B P29275 6/20 0.44
▸ CYP2C19 P33261 2/20 0.44
▸ CYP3A4 P08684 2/20 0.44
▸ LMNA P02545 1/20 0.42
▸ NPY5R Q15761 1/20 0.40
▸ ABCB1 P08183 3/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ GFER P55789 1/20 0.40
▸ ADORA2A P29274 3/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ CYP11B1 P15538 1/20 0.39
▸ CYP11B2 P19099 1/20 0.39
▸ DYRK1A Q13627 2/20 0.39
▸ CDC7 O00311 1/20 0.39
▸ ROCK2 O75116 1/20 0.39
▸ CDK8 P49336 1/20 0.39
▸ ROCK1 Q13464 1/20 0.39
▸ LRRK2 Q5S007 1/20 0.39
▸ CLK4 Q9HAZ1 1/20 0.39

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
SCHEMBL12848888 0.88 LMNA (0.43) ADORA2BLMNAABCB1ALDH1A1GFER
SCHEMBL12848829 0.85 LMNA (0.49) LMNANPY5RABCB1ALDH1A1GFER
SCHEMBL12848884 0.84 LMNA (0.45) LMNAABCB1ALDH1A1GFERCYP11B1
SCHEMBL12848757 0.83 MEN1 (0.43) LMNAALDH1A1GFERCYP1A2DYRK1A
SCHEMBL12797006 0.80 NPC1 (0.38) LMNAALDH1A1GFERROCK2MEN1
SCHEMBL12848831 0.79 DYRK1A (0.46) ADORA2BCYP2C19CYP3A4LMNANPY5R
SCHEMBL14222427 0.78 MEN1 (0.43) ALDH1A1GFERCYP1A2MEN1KMT2A
SCHEMBL12796659 0.78 ABCB1 (0.46) ADORA2BCYP2C19CYP3A4NPY5RABCB1
SCHEMBL12796628 0.78 LMNA (0.44) LMNAABCB1ALDH1A1GFERCYP11B1
SCHEMBL12796909 0.76 GPR142 (0.37) CYP3A4ALDH1A1GFERCYP1A2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8779154-B2 Fused ring compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. 2014-07-15 — — US disclosed
US-8779154-B2 Fused ring compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. 2014-07-15 — — US disclosed
US-20110052643-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2011-03-03 — — US disclosed
US-20080132513-A1 FUSED RING COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2008-06-05 — — US disclosed
US-20080132513-A1 FUSED RING COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2008-06-05 — — US disclosed
WO-2008039520-A2 FUSED RING COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2008-04-03 — — 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 (2 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-20080132513-A1 FUSED RING COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES NOD2, RORC, NLRP3 ADORA2B 2246/4885CYP2C19 213/4885CYP3A4 99/4885
US-20110052643-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES TSLP, NFATC1, IL5 ADORA2B 734/4885CYP2C19 1117/4885CYP3A4 622/4885

“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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