SCHEMBL12796690

SCHEMBL12796690

O=C(Nc1c(Cl)cccc1Cl)c1cnc2c(c1)CCCc1ccc(-c3cccnc3)cc1-2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TYK2 P29597 1/20 0.41
▸ CYP11B1 P15538 1/20 0.41
▸ CYP11B2 P19099 1/20 0.41
▸ CHRNA7 P36544 1/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ MKNK1 Q9BUB5 1/20 0.40
▸ MKNK2 Q9HBH9 1/20 0.40
▸ ADORA2B P29275 1/20 0.40
▸ CREBBP Q92793 1/20 0.40
▸ ABCB1 P08183 2/20 0.39
▸ CHEK2 O96017 1/20 0.39
▸ ABL1 P00519 1/20 0.39
▸ SCN5A Q14524 1/20 0.39
▸ SCN9A Q15858 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ P2RX7 Q99572 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
SCHEMBL12796659 0.89 ABCB1 (0.46) CYP11B1CYP11B2ADORA2BCREBBPABCB1
SCHEMBL12796686 0.87 ABCB1 (0.46) CYP11B1CYP11B2ADORA2BCREBBPABCB1
SCHEMBL12796689 0.83 ABCB1 (0.43) CYP11B1CYP11B2CREBBPABCB1CHEK2
SCHEMBL12796687 0.83 ABCB1 (0.53) CYP11B1CYP11B2ADORA2BCREBBPABCB1
SCHEMBL12796685 0.81 ABCB1 (0.56) CYP11B2ABCB1CYP1A2CYP3A4CYP2C19
SCHEMBL12848727 0.80 MEN1 (0.42) TYK2CYP11B1CYP11B2MEN1KMT2A
SCHEMBL12848829 0.76 LMNA (0.49) TYK2CYP11B1CYP11B2SMN1; SMN2LMNA
SCHEMBL12848962 0.74 MEN1 (0.40) CYP11B1CYP11B2MEN1KMT2ASMN1; SMN2
SCHEMBL12848439 0.74 CLK2 (0.45) CYP11B1CYP11B2KMT2ACREBBPCHEK2
SCHEMBL12848433 0.74 MEN1 (0.42) CYP11B1CYP11B2MEN1KMT2ASMN1; SMN2

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
US-20110052643-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2011-03-03 — — US 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 TYK2 627/4885CYP11B1 458/4885CYP11B2 365/4885

“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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