SCHEMBL15425805

SCHEMBL15425805

Cc1[nH]c2nc(-c3ccccc3)nc(NC3CCC(NC(=O)CCN)CC3)c2c1C

nearest known ligand 0.70

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ADORA1 P30542 11/20 0.70
▸ ADORA2A P29274 9/20 0.70
▸ SMYD3 Q9H7B4 7/20 0.49
▸ NSD2 O96028 1/20 0.43
▸ SETD2 Q9BYW2 1/20 0.43
▸ ADORA3 P0DMS8 1/20 0.42
▸ ADORA2B P29275 1/20 0.42

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
SCHEMBL15426758 0.87 ADORA1 (0.77) ADORA1ADORA2AADORA3ADORA2B
SCHEMBL15425807 0.81 ADORA1 (0.81) ADORA1ADORA2AADORA3ADORA2B
SCHEMBL15425800 0.80 ADORA1 (0.74) ADORA1ADORA2AADORA3ADORA2B
SCHEMBL15426757 0.80 ADORA1 (0.74) ADORA1ADORA2AADORA3ADORA2B
SCHEMBL8355377 0.80 ADORA1 (0.62) ADORA1ADORA2AADORA3ADORA2B
SCHEMBL4251032 0.79 ADORA1 (0.87) ADORA1ADORA2AADORA3ADORA2B
SCHEMBL4251031 0.79 ADORA1 (0.87) ADORA1ADORA2AADORA3ADORA2B
SCHEMBL4251034 0.79 ADORA1 (0.87) ADORA1ADORA2AADORA3ADORA2B
SCHEMBL4496406 0.78 ADORA1 (0.78) ADORA1ADORA2AADORA3ADORA2B
SCHEMBL8353560 0.75 ADORA1 (0.66) ADORA1ADORA2AADORA3

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-20140018361-A1 IRAK INHIBITORS AND USES THEREOF NIMBUS IRIS, INC. 2014-01-16 — — US disclosed
US-20140018361-A1 IRAK INHIBITORS AND USES THEREOF NIMBUS IRIS, INC. 2014-01-16 — — 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-20140018361-A1 IRAK INHIBITORS AND USES THEREOF IRAK2, IRAK4, IRAK1 ADORA1 2639/4885ADORA2A 2278/4885SMYD3 3369/4885

“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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