SCHEMBL18986772

SCHEMBL18986772

[N-]=[N+]=Nc1ccnc(CN)c1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE4A P27815 4/20 0.33
▸ CYP51A1 Q16850 4/20 0.33
▸ CA1 P00915 3/20 0.33
▸ CA2 P00918 3/20 0.33
▸ CA9 Q16790 3/20 0.33
▸ CA5A P35218 1/20 0.33
▸ CA5B Q9Y2D0 1/20 0.33
▸ NOX1 Q9Y5S8 1/20 0.33
▸ LOXL2 Q9Y4K0 3/20 0.32
▸ LOX P28300 1/20 0.32
▸ LOXL3 P58215 1/20 0.32
▸ PNMT P11086 1/20 0.31
▸ CYP2C9 P11712 1/20 0.31
▸ CA4 P22748 1/20 0.30
▸ CA7 P43166 1/20 0.30
▸ RAD51 Q06609 1/20 0.30
▸ CA12 O43570 1/20 0.30
▸ TLR8 Q9NR97 1/20 0.30
▸ TLR7 Q9NYK1 1/20 0.30
▸ TP53 P04637 1/20 0.30

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
SCHEMBL18986848 0.82 CYP51A1 (0.33) PDE4ACYP51A1CA1CA2CA9
SCHEMBL18986863 0.82 CYP51A1 (0.36) PDE4ACYP51A1CA1CA2CA9
SCHEMBL27965915 0.77 GABRP (0.41) CYP51A1CA1CA2CA9CYP2C9
SCHEMBL28097360 0.74 RAD51 (0.32) RAD51
SCHEMBL15426707 0.74 LOXL2 (0.38) LOXL2LOXLOXL3
SCHEMBL24208362 0.73 SLC6A4 (0.32) —
SCHEMBL15426999 0.72 UHRF1 (0.45) PDE4ACYP51A1CA1CA2CA9
SCHEMBL18986919 0.70 MEN1 (0.55) —
SCHEMBL28267926 0.68 LOXL2 (0.43) PDE4ACYP51A1CA1CA2CA9
SCHEMBL4107151 0.68 LOXL2 (0.61) LOXL2LOXLOXL3

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-20180355441-A1 VISUAL DETECTION OF PLATINATED DNA LESIONS FROM A CLICKABLE CISPLATIN PROBE USED AS DIAGNOSTIC TOOL OR TO IDENTIFY SYNERGISTIC TREATMENTS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2018-12-13 — — US disclosed
EP-3390420-A1 VISUAL DETECTION OF PLATINATED DNA LESIONS FROM A CLICKABLE CISPLATIN PROBE USED AS DIAGNOSTIC TOOL OR TO IDENTIFY SYNERGISTIC TREATMENTS Centre National De La Recherche Scientifique (FR) 2018-10-24 — — EP disclosed
WO-2017102934-A1 VISUAL DETECTION OF PLATINATED DNA LESIONS FROM A CLICKABLE CISPLATIN PROBE USED AS DIAGNOSTIC TOOL OR TO IDENTIFY SYNERGISTIC TREATMENTS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2017-06-22 — — 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-20180355441-A1 VISUAL DETECTION OF PLATINATED DNA LESIONS FROM A CLICKABLE CISPLATIN PROBE USED AS DIAGNOSTIC TOOL OR TO IDENTIFY SYNERGISTIC TREATMENTS ERCC5, ERCC1, ERCC4 PDE4A 4279/4885CYP51A1 4829/4885CA1 891/4885

“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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