SCHEMBL12848831

SCHEMBL12848831

O=C(Nc1cnc2c(c1)CCCc1ccc(-c3cccnc3)cc1-2)c1c(F)cncc1F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DYRK1A Q13627 7/20 0.46
▸ DYRK1B Q9Y463 1/20 0.46
▸ NPY5R Q15761 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ ABCB1 P08183 3/20 0.41
▸ CYP11B1 P15538 1/20 0.41
▸ CYP11B2 P19099 1/20 0.41
▸ ADORA2B P29275 2/20 0.41
▸ CYP2C19 P33261 2/20 0.41
▸ CLK1 P49759 2/20 0.41
▸ CYP3A4 P08684 1/20 0.40
▸ CREBBP Q92793 1/20 0.40
▸ NPC1 O15118 2/20 0.40
▸ RAB9A P51151 2/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ TP53 P04637 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ DYRK3 O43781 1/20 0.38
▸ PRKD3 O94806 1/20 0.38
▸ MAP4K4 O95819 1/20 0.38

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
SCHEMBL12848829 0.94 LMNA (0.49) DYRK1ADYRK1BNPY5RLMNAABCB1
SCHEMBL12848891 0.90 DYRK1A (0.44) DYRK1ANPY5RABCB1CYP11B1CYP11B2
SCHEMBL12796686 0.83 ABCB1 (0.46) NPY5RABCB1CYP11B1CYP11B2ADORA2B
SCHEMBL12848904 0.83 CREBBP (0.42) DYRK1ANPY5RABCB1CYP11B1CYP11B2
SCHEMBL12848439 0.82 CLK2 (0.45) DYRK1ANPY5RCYP11B1CYP11B2CYP2C19
SCHEMBL12796687 0.81 ABCB1 (0.53) NPY5RABCB1CYP11B1CYP11B2ADORA2B
SCHEMBL12796659 0.80 ABCB1 (0.46) NPY5RABCB1CYP11B1CYP11B2ADORA2B
SCHEMBL12848953 0.79 ADORA2B (0.44) DYRK1ADYRK1BNPY5RLMNAABCB1
SCHEMBL12796685 0.79 ABCB1 (0.56) DYRK1ANPY5RABCB1CYP11B2CYP2C19
SCHEMBL12848738 0.78 IL2 (0.51) LMNANPC1RAB9ASMN1; SMN2TP53

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 DYRK1A 4376/4885DYRK1B 4483/4885NPY5R 2416/4885

“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.

Send feedback