SCHEMBL25736987

SCHEMBL25736987

CCCCC(C)(CCC)c1cccnc1N

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ TLR8 Q9NR97 11/20 0.38
▸ TLR7 Q9NYK1 5/20 0.38
▸ NOS2 P35228 3/20 0.38
▸ NOS3 P29474 2/20 0.38
▸ NOS1 P29475 1/20 0.38
▸ HPGD P15428 2/20 0.32
▸ P2RY1 P47900 1/20 0.32
▸ LTA4H P09960 1/20 0.31
▸ MAPK14 Q16539 1/20 0.31
▸ NAPRT Q6XQN6 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31
▸ NPC1 O15118 1/20 0.31
▸ RAB9A P51151 1/20 0.31

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
SCHEMBL25736995 0.85 TLR8 (0.40) TLR8TLR7NOS2NOS3NOS1
SCHEMBL22024946 0.81 TLR8 (0.33) TLR8TLR7P2RY1NAPRT
SCHEMBL25736998 0.80 NOS2 (0.45) NOS2NOS3NOS1HPGDLTA4H
SCHEMBL21191715 0.76 SMN1; SMN2 (0.41) TLR8TLR7HPGDKDM4EALDH1A1
SCHEMBL22624032 0.75 P2RY1 (0.39) TLR8TLR7HPGDP2RY1KDM4E
SCHEMBL21191599 0.75 TLR8 (0.35) TLR8TLR7P2RY1NAPRTKDM4E
SCHEMBL21191754 0.74 TLR8 (0.36) TLR8TLR7P2RY1KDM4ENPC1
SCHEMBL22024146 0.73 NAPRT (0.34) TLR8HPGDNAPRTKDM4EALDH1A1
SCHEMBL21191591 0.73 TLR8 (0.36) TLR8TLR7P2RY1NAPRTKDM4E
SCHEMBL22624021 0.73 TLR8 (0.34) TLR8TLR7NPC1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230192904-A1 BIFUNCTIONAL CHIMERIC MOLECULES FOR LABELING OF KINASES WITH TARGET BINDING MOIETIES AND METHODS OF USE THEREOF THE BROAD INSTITUTE, INC. 2023-06-22 — — 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-20230192904-A1 BIFUNCTIONAL CHIMERIC MOLECULES FOR LABELING OF KINASES WITH TARGET BINDING MOIETIES AND METHODS OF USE THEREOF ERBB2, ACP1, TK1 TLR8 4180/4885TLR7 4597/4885NOS2 3886/4885

“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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