SCHEMBL6533716

SCHEMBL6533716

C=CCc1nc2ncnc(Cl)c2[nH]1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 1/20 0.39
PI4KA P42356 1/20 0.36
PI4K2B Q8TCG2 1/20 0.36
PI4K2A Q9BTU6 1/20 0.36
PI4KB Q9UBF8 1/20 0.36
DYRK1A Q13627 1/20 0.32
ADORA2A P29274 1/20 0.30
ADORA1 P30542 1/20 0.30
LMNA P02545 1/20 0.30
TSHR P16473 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
SCHEMBL669407 0.81 PI4KA (0.56) PI4KAPI4K2BPI4K2API4KBADORA2A
SCHEMBL9406736 0.75 PI4KA (0.54) EGLN1PI4KAPI4K2BPI4K2API4KB
SCHEMBL6270795 0.74 DPP4 (0.40)
SCHEMBL9406669 0.73 PI4KA (0.62) EGLN1PI4KAPI4K2BPI4K2API4KB
SCHEMBL7359070 0.72 PRMT5 (0.47) LMNATSHR
SCHEMBL6016629 0.71 EGLN1 (0.43) EGLN1PI4KAPI4K2BPI4K2API4KB
SCHEMBL1079071 0.69 METAP2 (0.41)
SCHEMBL10910539 0.68 ADORA2A (0.61) EGLN1PI4KAPI4K2BPI4K2API4KB
SCHEMBL1868817 0.68 ADORA2A (0.43) EGLN1PI4KAPI4K2BPI4K2API4KB
SCHEMBL1350377 0.67 ALDH1A1 (0.36) LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050227933-A1 Treatment of bacterial induced diseases using DNA methyl transferase inhibitors BENKOVIC STEPHEN J 2005-10-13 US disclosed
US-20040259833-A1 DNA methyl transferase inhibitors THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY 2004-12-23 US disclosed
EP-1420021-A1 DNA Methyltransferase inhibitors The Penn State Research Foundation (US) 2004-05-19 EP disclosed
CN-1370170-A DNA methyltransferase inhibitors PENN STATE RES FOUND (US) 2002-09-18 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 (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-20050227933-A1 Treatment of bacterial induced diseases using DNA methyl transferase inhibitors DNMT1, TPMT, GNMT EGLN1 1541/4885PI4KA 3118/4885PI4K2B 3428/4885
US-20040259833-A1 DNA methyl transferase inhibitors DNMT1, DNMT3A, DIMT1 EGLN1 3048/4885PI4KA 2170/4885PI4K2B 3416/4885

“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.