SCHEMBL23830882

SCHEMBL23830882

N#Cc1nccc(N[C@@H]2CCNC2)n1

nearest known ligand 0.66

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CTSK P43235 2/20 0.66
▸ HRH3 Q9Y5N1 4/20 0.52
▸ HRH4 Q9H3N8 2/20 0.48
▸ NRAS P01111 2/20 0.42
▸ FLT3 P36888 2/20 0.42
▸ IRAK4 Q9NWZ3 3/20 0.42
▸ PRKCI P41743 4/20 0.42
▸ BRD4 O60885 2/20 0.42
▸ ATAD2 Q6PL18 2/20 0.42
▸ CYP1A2 P05177 2/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.40
▸ CTSL P07711 1/20 0.40
▸ CTSB P07858 1/20 0.40
▸ CTSS P25774 1/20 0.40
▸ IRAK1 P51617 1/20 0.40
▸ MAPK1 P28482 1/20 0.40

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
SCHEMBL23830884 1.00 CTSK (0.66) CTSKHRH3HRH4NRASFLT3
SCHEMBL27226580 0.92 CTSK (0.74) CTSKHRH3HRH4IRAK4CYP1A2
SCHEMBL30815053 0.92 CTSK (0.74) CTSKHRH3HRH4IRAK4CYP1A2
SCHEMBL27226113 0.88 CTSK (0.68) CTSKHRH3HRH4NRASFLT3
SCHEMBL31627243 0.82 CTSK (0.53) CTSKHRH3HRH4CYP1A2CYP2C19
SCHEMBL30815368 0.81 CTSK (0.58) CTSKHRH3HRH4IRAK4CYP1A2
SCHEMBL31061062 0.80 CTSK (1.00) CTSKHRH3CTSLCTSBCTSS
SCHEMBL13018653 0.78 HRH3 (0.83) HRH3HRH4NRASFLT3IRAK4
SCHEMBL3785005 0.78 HRH3 (0.83) HRH3HRH4NRASFLT3IRAK4
SCHEMBL30815456 0.78 CTSK (0.62) CTSKHRH3HRH4FLT3IRAK4

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-20210292305-A1 Cyclic Ureas SIRONAX LTD (KY) 2021-09-23 — — US disclosed
US-20210292305-A1 Cyclic Ureas SIRONAX LTD (KY) 2021-09-23 — — US disclosed
CN-113302183-A Cyclic ureas 圣瑞诺有限公司 2021-08-24 — — CN 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-20210292305-A1 Cyclic Ureas RIPK1, RIPK3, RIPK4 CTSK 2802/4885HRH3 1156/4885HRH4 933/4885

“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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