SCHEMBL12848457

SCHEMBL12848457

O=C(Nc1c(F)cccc1F)c1nc2c(s1)C1=C(CCC2)CCN(c2nc(-c3cnco3)cs2)C1

nearest known ligand 0.33

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ IL2 P60568 1/20 0.33
▸ MAPT P10636 3/20 0.32
▸ FAAH O00519 2/20 0.32
▸ AR P10275 1/20 0.31
▸ ROCK2 O75116 2/20 0.31
▸ ADORA2A P29274 1/20 0.31
▸ CYP1A2 P05177 2/20 0.30
▸ CYP2C19 P33261 2/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ NPC1 O15118 2/20 0.30
▸ RAB9A P51151 2/20 0.30
▸ SMN1; SMN2 Q16637 1/20 0.30
▸ LMNA P02545 1/20 0.30
▸ HTT P42858 1/20 0.30
▸ CHEK1 O14757 1/20 0.30
▸ MEN1 O00255 1/20 0.30
▸ CYP2C9 P11712 1/20 0.30
▸ KMT2A Q03164 1/20 0.30

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
SCHEMBL12848912 0.81 SLC27A1 (0.36) MAPTALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL12848841 0.76 MAPT (0.37) MAPTALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL12848435 0.73 IL2 (0.44) IL2ROCK2ALDH1A1NPC1RAB9A
SCHEMBL12848466 0.71 IL2 (0.35) IL2MAPTADORA2AMEN1KMT2A
SCHEMBL12848901 0.68 TP53 (0.38) MAPTALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL12848562 0.68 TP53 (0.37) MAPTCYP1A2CYP2C19ALDH1A1NPC1
SCHEMBL12848851 0.67 ADORA2A (0.33) IL2MAPTFAAHARADORA2A
SCHEMBL14172682 0.66 IL2 (0.38) IL2ROCK2ALDH1A1NPC1RAB9A
SCHEMBL14172541 0.65 DHODH (0.42) MAPTADORA2AALDH1A1NPC1RAB9A
SCHEMBL14172694 0.64 IL2 (0.38) IL2ROCK2ALDH1A1NPC1RAB9A

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 2 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
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 5/4885MAPT 1865/4885FAAH 1621/4885

“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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