SCHEMBL27042006

SCHEMBL27042006

Clc1cc(Br)cnc1-c1ncccn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PLAU P00749 1/20 0.41
▸ NPC1 O15118 3/20 0.34
▸ RAB9A P51151 3/20 0.34
▸ SMN1; SMN2 Q16637 3/20 0.34
▸ MAPK1 P28482 2/20 0.34
▸ DYRK1A Q13627 3/20 0.33
▸ KMT2A Q03164 3/20 0.33
▸ HTT P42858 2/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ CTDSP1 Q9GZU7 1/20 0.33
▸ SMO Q99835 1/20 0.32
▸ KDM4E B2RXH2 2/20 0.32
▸ ALDH1A1 P00352 2/20 0.32
▸ AURKA O14965 1/20 0.32
▸ DAPK3 O43293 1/20 0.32
▸ JAK2 O60674 1/20 0.32
▸ PRKD3 O94806 1/20 0.32
▸ MAP4K4 O95819 1/20 0.32
▸ PAK4 O96013 1/20 0.32
▸ ABL1 P00519 1/20 0.32

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
SCHEMBL31501759 1.00 PLAU (0.41) PLAUNPC1RAB9ASMN1; SMN2MAPK1
SCHEMBL27070674 0.80 KMT2A (0.41) NPC1RAB9ASMN1; SMN2MAPK1KMT2A
SCHEMBL17729276 0.76 ALDH1A1 (0.34) NPC1RAB9ASMN1; SMN2MAPK1KMT2A
SCHEMBL25256052 0.74 DYRK1A (0.37) PLAUSMN1; SMN2DYRK1AKDM4EALDH1A1
SCHEMBL31038454 0.74 DYRK1A (0.37) PLAUSMN1; SMN2DYRK1AKDM4EALDH1A1
SCHEMBL29818393 0.73 PTK2 (0.50) DYRK1APTK2
SCHEMBL25194689 0.73 PTK2 (0.50) DYRK1APTK2
SCHEMBL25296668 0.72 HSD17B10 (0.36) PLAUKMT2AMEN1NMT1RXFP1
SCHEMBL31038476 0.72 HSD17B10 (0.36) PLAUKMT2AMEN1NMT1RXFP1
SCHEMBL31501728 0.72 TRPV1 (0.39) NPC1RAB9ASMN1; SMN2MAPK1DYRK1A

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-20260049085-A1 CYCLIC COMPOUNDS AND METHODS OF USING SAME SCHRÖDINGER, INC. (US) 2026-02-19 — — US disclosed
EP-4558505-A2 CYCLIC COMPOUNDS AND METHODS OF USING SAME Schrödinger, Inc. (US) 2025-05-28 — — EP disclosed
WO-2024020534-A2 CYCLIC COMPOUNDS AND METHODS OF USING SAME SCHRÖDINGER, INC. (US) 2024-01-25 — — 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-20260049085-A1 CYCLIC COMPOUNDS AND METHODS OF USING SAME CCR1, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, MALT1 PLAU 4407/4885NPC1 219/4885RAB9A 1209/4885

“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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