SCHEMBL12796686

SCHEMBL12796686

O=C(Nc1c(F)cncc1F)c1cnc2c(c1)CCCc1ccc(-c3cccnc3)cc1-2

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ABCB1 P08183 7/20 0.46
▸ CYP11B2 P19099 2/20 0.41
▸ CYP11B1 P15538 1/20 0.41
▸ ADORA2B P29275 2/20 0.41
▸ CYP2C19 P33261 2/20 0.41
▸ ABCC1 P33527 2/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ CREBBP Q92793 1/20 0.40
▸ NPY5R Q15761 1/20 0.40
▸ CHEK2 O96017 1/20 0.39
▸ NTRK1 P04629 1/20 0.39
▸ ABL1 P00519 2/20 0.38
▸ OPRM1 P35372 1/20 0.38
▸ KCNH2 Q12809 1/20 0.38
▸ DEGS1 O15121 1/20 0.37

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
SCHEMBL12796659 0.94 ABCB1 (0.46) ABCB1CYP11B2CYP11B1ADORA2BCYP2C19
SCHEMBL12796687 0.90 ABCB1 (0.53) ABCB1CYP11B2CYP11B1ADORA2BCYP2C19
SCHEMBL12796690 0.87 TYK2 (0.41) ABCB1CYP11B2CYP11B1ADORA2BCYP2C19
SCHEMBL12796685 0.86 ABCB1 (0.56) ABCB1CYP11B2CYP2C19ABCC1CYP3A4
SCHEMBL12848831 0.83 DYRK1A (0.46) ABCB1CYP11B2CYP11B1ADORA2BCYP2C19
SCHEMBL12796689 0.83 ABCB1 (0.43) ABCB1CYP11B2CYP11B1ABCC1CREBBP
SCHEMBL12848891 0.81 DYRK1A (0.44) ABCB1CYP11B2CYP11B1ADORA2BCYP2C19
SCHEMBL12848829 0.80 LMNA (0.49) ABCB1CYP11B2CYP11B1CREBBPNPY5R
SCHEMBL12796667 0.78 ABCB1 (0.41) ABCB1CYP11B2CYP11B1ABCC1CREBBP
SCHEMBL12796670 0.77 ABCB1 (0.42) ABCB1CYP11B2CYP11B1ABCC1CREBBP

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 ABCB1 435/4885CYP11B2 365/4885CYP11B1 458/4885

“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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