SCHEMBL17695161

SCHEMBL17695161

Cc1cccc(-c2nc(NCCCN3CCOCC3)c3ccccc3n2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 8/20 1.00
▸ MEN1 O00255 7/20 1.00
▸ MAPT P10636 5/20 1.00
▸ ALDH1A1 P00352 3/20 1.00
▸ KDM4E B2RXH2 1/20 1.00
▸ POLB P06746 1/20 1.00
▸ HTT P42858 1/20 1.00
▸ MAPK1 P28482 6/20 0.81
▸ TSHR P16473 4/20 0.81
▸ ALOX15 P16050 3/20 0.81
▸ TP53 P04637 2/20 0.81
▸ SMN1; SMN2 Q16637 2/20 0.79
▸ ACP1 P24666 3/20 0.72
▸ CYP1A2 P05177 7/20 0.72
▸ CYP3A4 P08684 7/20 0.72
▸ CYP2D6 P10635 6/20 0.72
▸ USP2 O75604 5/20 0.72
▸ HSD17B10 Q99714 4/20 0.72
▸ CYP2C19 P33261 4/20 0.72
▸ CLK4 Q9HAZ1 4/20 0.72

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
SCHEMBL1085597 0.83 ACP1 (0.87) KMT2AMEN1MAPTALDH1A1KDM4E
SCHEMBL3981553 0.81 MAPK1 (0.81) KMT2AMEN1MAPTALDH1A1KDM4E
SCHEMBL3976459 0.80 MAPT (0.67) KMT2AMEN1MAPTALDH1A1KDM4E
SCHEMBL1084021 0.80 SMN1; SMN2 (0.79) KMT2AMEN1MAPTALDH1A1KDM4E
SCHEMBL3974887 0.80 MAPK1 (0.82) KMT2AMEN1MAPTALDH1A1KDM4E
SCHEMBL4084663 0.79 CYP1A2 (0.88) KMT2AMEN1MAPTALDH1A1KDM4E
SCHEMBL1289434 0.78 MAPK1 (0.71) KMT2AMEN1MAPTALDH1A1KDM4E
SCHEMBL1289470 0.78 MAPK1 (0.70) KMT2AMEN1MAPTALDH1A1KDM4E
Hydrochloric Acid SCHEMBL4511251 0.78 MAPK1 (0.70) KMT2AMEN1MAPTALDH1A1KDM4E
SCHEMBL3460634 0.77 CYP1A2 (0.79) KMT2AMEN1MAPTALDH1A1POLB

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-11220486-B2 Inhibitors of low molecular weight protein tyrosine phosphatase and uses thereof LA JOLLA INSTITUTE OF ALLERGY & IMMUNOLOGY (US) 2022-01-11 — — US disclosed
EP-3206689-B1 INHIBITORS OF LOW MOLECULAR WEIGHT PROTEIN TYROSINE PHOSPHATASE AND USES THEREOF LA JOLLA INST OF ALLERGY & IMMUNOLOGY (US) 2021-12-08 — — EP disclosed
US-20200290977-A1 Inhibitors of Low Molecular Weight Protein Tyrosine Phosphatase and Uses Thereof LA JOLLA INSTITUTE OF ALLERGY & IMMUNOLOGY 2020-09-17 — — US disclosed
US-10626094-B2 Inhibitors of low molecular weight protein tyrosine phosphatase and uses thereof Sanford Burnham Prebys Medical Discovery Institute (US) 2020-04-21 — — US disclosed
US-20170247340-A1 Inhibitors of Low Molecular Weight Protein Tyrosine Phosphatase and Uses Thereof LA JOLLA INSTITUTE OF ALLERGY & IMMUNOLOGY 2017-08-31 — — US disclosed
US-20170247340-A1 Inhibitors of Low Molecular Weight Protein Tyrosine Phosphatase and Uses Thereof LA JOLLA INSTITUTE OF ALLERGY & IMMUNOLOGY 2017-08-31 — — US disclosed
WO-2016061280-A1 INHIBITORS OF LOW MOLECULAR WEIGHT PROTEIN TYROSINE PHOSPHATASE AND USES THEREOF LA JOLLA INSTITUTE OF ALLERGY & IMMUNOLOGY (US) 2016-04-21 — — 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 (4 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-11220486-B2 Inhibitors of low molecular weight protein tyrosine phosphatase and uses thereof ACP1, PTPRCAP, PTPA KMT2A 567/4885MEN1 4778/4885MAPT 3143/4885
US-10626094-B2 Inhibitors of low molecular weight protein tyrosine phosphatase and uses thereof ACP1, PTPRCAP, PTPA KMT2A 567/4885MEN1 4778/4885MAPT 3143/4885
US-20200290977-A1 Inhibitors of Low Molecular Weight Protein Tyrosine Phosphatase and Uses Thereof ACP1, PTPRCAP, PTPA KMT2A 567/4885MEN1 4778/4885MAPT 3143/4885
US-20170247340-A1 Inhibitors of Low Molecular Weight Protein Tyrosine Phosphatase and Uses Thereof ACP1, PTPRCAP, PTPA KMT2A 567/4885MEN1 4778/4885MAPT 3143/4885

“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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