SCHEMBL11264204

SCHEMBL11264204

CNNc1nncc(-c2ccccc2)n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 14/20 0.50
TDP1 Q9NUW8 2/20 0.49
RAB9A P51151 5/20 0.48
KMT2A Q03164 5/20 0.48
MEN1 O00255 4/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
POLB P06746 3/20 0.48
KDM4E B2RXH2 2/20 0.48
NPC1 O15118 4/20 0.45
L3MBTL1 Q9Y468 5/20 0.45
GAA P10253 2/20 0.45
ALDH1A1 P00352 4/20 0.43
HPGD P15428 1/20 0.42
GABRA1 P14867 1/20 0.42
GABRG2 P18507 1/20 0.42
GABRB3 P28472 1/20 0.42
GABRA5 P31644 1/20 0.42
GABRA3 P34903 1/20 0.42
IMPDH2 P12268 1/20 0.41
APAF1 O14727 1/20 0.41

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
SCHEMBL19454785 0.86 TDP1 (0.61) MAPTTDP1RAB9AKMT2AMEN1
SCHEMBL11328978 0.80 ADORA1 (0.51) MAPTRAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL11126066 0.79 MAPT (0.61) MAPTTDP1RAB9AKMT2AMEN1
SCHEMBL19717504 0.78 TDP1 (0.71) MAPTTDP1RAB9AKMT2AMEN1
SCHEMBL12015941 0.77 MAPT (0.51) MAPTRAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL13381021 0.73 MAPT (0.79) MAPTTDP1RAB9AKMT2AMEN1
SCHEMBL11537180 0.73 MAPT (0.48) MAPTTDP1RAB9AKMT2AMEN1
SCHEMBL11275588 0.73 MAPT (0.46) MAPTTDP1RAB9AKMT2AMEN1
SCHEMBL21938127 0.73 GABRA1 (0.54) MAPTRAB9AKMT2AMEN1KDM4E
SCHEMBL11340503 0.72 ALDH1A1 (0.49) MAPTRAB9AKMT2AMEN1SMN1; 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4310551-A Pharmacologically active substituted 1,2,4-triazines DIAMOND SHAMROCK CORPORATION (US) 1982-01-12 US claimed
US-4251527-A ANTIINFLAMMATORY AGENTS DIAMOND SHAMROCK CORPORATION (US) 1981-02-17 US claimed
US-4157392-A HYPOTENSIVE AGENTS, ANTIINFLAMMATORY AGENTS, ANALGESICS, ANTIPYRETICS AND NERVOUS SYSTEM EFFECTS DIAMOND SHAMROCK CORPORATION (US) 1979-06-05 US claimed
US-11498936-B2 Preparation of metal-pyridine derivative complexes for use in medical imaging UNIVERSITY OF NORTHUMBRIA AT NEWCASTLE (GB) 2022-11-15 US disclosed
US-20200369698-A1 Preparation of Metal-Pyridine Derivative Complexes for Use in Medical Imaging UNIVERSITY OF NORTHUMBRIA AT NEWCASTLE (GB) 2020-11-26 US disclosed
US-4310551-A Pharmacologically active substituted 1,2,4-triazines DIAMOND SHAMROCK CORPORATION (US) 1982-01-12 US disclosed
US-4251527-A ANTIINFLAMMATORY AGENTS DIAMOND SHAMROCK CORPORATION (US) 1981-02-17 US disclosed
US-4157392-A HYPOTENSIVE AGENTS, ANTIINFLAMMATORY AGENTS, ANALGESICS, ANTIPYRETICS AND NERVOUS SYSTEM EFFECTS DIAMOND SHAMROCK CORPORATION (US) 1979-06-05 US 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 (2 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-11498936-B2 Preparation of metal-pyridine derivative complexes for use in medical imaging MEN1, PDCD1, PDCD1LG2 MAPT 3497/4885TDP1 3386/4885RAB9A 2846/4885
US-20200369698-A1 Preparation of Metal-Pyridine Derivative Complexes for Use in Medical Imaging MEN1, PDCD1, PDCD1LG2 MAPT 3497/4885TDP1 3386/4885RAB9A 2846/4885

“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.