SCHEMBL26213678

SCHEMBL26213678

[N-]=[N+]=NCC1CCN(CCNS(=O)(=O)N2CCC(c3cccnc3F)CC2)CC1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 1/20 0.33
▸ JAK1 P23458 1/20 0.33
▸ TYK2 P29597 1/20 0.33
▸ JAK3 P52333 1/20 0.33
▸ ALOX15 P16050 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ HRH1 P35367 2/20 0.33
▸ KCNH2 Q12809 2/20 0.33
▸ DRD2 P14416 6/20 0.32
▸ HTR2A P28223 6/20 0.32
▸ HTR7 P34969 6/20 0.32
▸ HTR6 P50406 5/20 0.32
▸ HTR1A P08908 3/20 0.32
▸ CNR2 P34972 1/20 0.32
▸ DRD3 P35462 1/20 0.31
▸ CCR2 P41597 1/20 0.31
▸ OPRL1 P41146 2/20 0.31
▸ KDM1A O60341 1/20 0.31
▸ HDAC6 Q9UBN7 1/20 0.31
▸ OPRM1 P35372 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
SCHEMBL26213676 0.83 DRD2 (0.33) ALOX15TSHRKCNH2DRD2HTR2A
SCHEMBL26213682 0.81 CARM1 (0.46) TSHRDRD2HTR7KDM1AHDAC6
SCHEMBL26213680 0.78 PRMT6 (0.50) —
SCHEMBL26213160 0.77 HTR1A (0.45) ALOX15TSHRDRD2HTR7HTR6
SCHEMBL26213669 0.77 HCAR2 (0.37) KCNH2CNR2OPRL1OPRM1OPRK1
SCHEMBL26214485 0.77 KIT (0.40) HRH1KCNH2CNR2
SCHEMBL26213056 0.71 KDM1A (0.53) HTR7HTR1AKDM1AOPRM1OPRK1
SCHEMBL26213153 0.70 NEK1 (0.42) ALOX15TSHRDRD2HTR7HTR6
SCHEMBL30270474 0.68 NEK1 (0.44) ALOX15TSHRDRD2HTR2AHTR7
SCHEMBL30269813 0.68 COMT (0.41) HTR2AHTR6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115843271-B Indole derivatives and their use for the treatment of cancer 克洛德贝纳尔-里昂第一大学 2024-08-13 — — CN disclosed
US-20230278983-A1 INDOLE DERIVATIVES AND USES THEREOF FOR TREATING A CANCER UNIVERSITE CLAUDE BERNARD LYON 1 (FR) 2023-09-07 — — US disclosed
US-20230278983-A1 INDOLE DERIVATIVES AND USES THEREOF FOR TREATING A CANCER UNIVERSITE CLAUDE BERNARD LYON 1 (FR) 2023-09-07 — — US disclosed
EP-4175718-A1 INDOLE DERIVATIVES AND USES THEREOF FOR TREATING A CANCER UNIVERSITE CLAUDE BERNARD - LYON 1 (FR) 2023-05-10 — — EP disclosed
CN-115843271-A Indole derivatives and their use for the treatment of cancer 克洛德贝纳尔-里昂第一大学 2023-03-24 — — 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-20230278983-A1 INDOLE DERIVATIVES AND USES THEREOF FOR TREATING A CANCER CSNK2A1, IDO1, CSNK2A3 JAK2 151/4885JAK1 510/4885TYK2 311/4885

“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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