SCHEMBL22154712

SCHEMBL22154712

CNc1ccc(-c2nncnn2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.53
▸ TP53 P04637 3/20 0.53
▸ KDM4E B2RXH2 1/20 0.53
▸ KIF11 P52732 1/20 0.41
▸ APP P05067 12/20 0.37
▸ TSHR P16473 1/20 0.37
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ GLA P06280 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ NPC1 O15118 1/20 0.34
▸ USP2 O75604 1/20 0.34
▸ PKM P14618 1/20 0.34
▸ NFKB1 P19838 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ NFKB2 Q00653 1/20 0.34
▸ RELA Q04206 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ ALDH1A1 P00352 2/20 0.33
▸ RECQL P46063 2/20 0.33

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
Hydrochloric Acid SCHEMBL28991667 0.98 MAPT (0.52) MAPTTP53KDM4EKIF11APP
SCHEMBL21372065 0.81 MAPT (0.65) MAPTTP53KDM4ETSHRMEN1
SCHEMBL20783238 0.78 TP53 (0.48) MAPTTP53KDM4EMEN1KMT2A
SCHEMBL28570654 0.78 KIF11 (0.41) MAPTTP53KIF11APPTSHR
SCHEMBL10049785 0.78 NPC1 (0.61) MAPTTP53KDM4EKIF11APP
SCHEMBL15305959 0.78 NPC1 (0.61) MAPTTP53KDM4EKIF11APP
SCHEMBL24140944 0.78 MAPT (0.48) MAPTTP53KDM4EMEN1KMT2A
SCHEMBL19295076 0.78 MAPT (0.48) MAPTTP53KDM4ETSHRMEN1
Hydrochloric Acid SCHEMBL28404160 0.77 KIF11 (0.39) MAPTTP53KIF11APPTSHR
SCHEMBL22138452 0.75 TP53 (0.46) MAPTTP53KDM4ETSHRSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230285581-A1 RIFAMYCIN ANALOGS AND ANTIBODY-DRUG CONJUGATES THEREOF REGENERON PHARMACEUTICALS, INC. (US) 2023-09-14 — — US disclosed
WO-2023129518-A1 TUBULYSINS AND PROTEIN-TUBULYSIN CONJUGATES REGENERON PHARMACEUTICALS, INC. (US) 2023-07-06 — — WO disclosed
WO-2021262910-A2 TUBULYSINS AND PROTEIN-TUBULYSIN CONJUGATES REGENERON PHARMACEUTICALS, INC. (US) 2021-12-30 — — WO disclosed
WO-2020146541-A2 TRACELESS LINKERS AND PROTEIN-CONJUGATES THEREOF REGENERON PHARMACEUTICALS, INC. (US) 2020-07-16 — — WO disclosed
WO-2020132658-A2 TUBULYSINS AND PROTEIN-TUBULYSIN CONJUGATES REGENERON PHARMACEUTICALS, INC. (US) 2020-06-25 — — WO disclosed
CN-103889459-A bioorthogonal drug activation KONINKL PHILIPS NV 2014-06-25 — — CN disclosed
CN-103648533-A Pretargeting kit for imaging or therapy comprising a trans-cyclooctene dienophile and a diene KONINKL PHILIPS ELECTRONICS NV 2014-03-19 — — 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-20230285581-A1 RIFAMYCIN ANALOGS AND ANTIBODY-DRUG CONJUGATES THEREOF ASGR1, CUTA, SRPRA MAPT 3352/4885TP53 3581/4885KDM4E 4223/4885

“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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