SCHEMBL5354517

SCHEMBL5354517

N=C(N)Nc1cccc(C(=O)c2ccccc2)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 2/20 0.60
▸ GAA P10253 1/20 0.59
▸ CA1 P00915 1/20 0.58
▸ CA2 P00918 1/20 0.58
▸ RAB9A P51151 2/20 0.55
▸ TDP1 Q9NUW8 2/20 0.55
▸ ATM Q13315 1/20 0.55
▸ BLM P54132 1/20 0.55
▸ PDK1 Q15118 1/20 0.54
▸ PDK2 Q15119 1/20 0.54
▸ PDK3 Q15120 1/20 0.54
▸ PDK4 Q16654 1/20 0.54
▸ NPSR1 Q6W5P4 1/20 0.53
▸ MAPT P10636 2/20 0.52
▸ LMNA P02545 2/20 0.52
▸ ALDH1A1 P00352 1/20 0.52
▸ PBRM1 Q86U86 1/20 0.51
▸ KCNK3 O14649 1/20 0.51
▸ KCNK9 Q9NPC2 1/20 0.51
▸ EGFR P00533 1/20 0.51

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
Nitric Acid SCHEMBL5350521 0.91 L3MBTL1 (0.52) L3MBTL1GAACA1CA2RAB9A
Nitric Acid SCHEMBL5350529 0.91 L3MBTL1 (0.52) L3MBTL1GAACA1CA2RAB9A
SCHEMBL1185244 0.86 KMT2A (0.58) L3MBTL1CA1CA2RAB9ALMNA
SCHEMBL11015498 0.86 L3MBTL1 (0.64) L3MBTL1GAACA1CA2RAB9A
Hydrochloric Acid SCHEMBL29568124 0.85 KMT2A (0.57) L3MBTL1CA1CA2RAB9ALMNA
Hydrochloric Acid SCHEMBL3839558 0.85 KMT2A (0.57) L3MBTL1CA1CA2RAB9ALMNA
SCHEMBL895690 0.84 MEN1 (0.63) ALDH1A1MEN1KMT2A
SCHEMBL6930688 0.83 KMT2A (0.62) RAB9ATDP1NPSR1LMNAALDH1A1
Hydrochloric Acid SCHEMBL2546537 0.83 MEN1 (0.61) ALDH1A1MEN1KMT2A
SCHEMBL12096453 0.82 L3MBTL1 (0.68) L3MBTL1GAACA1CA2RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7160897-B2 Therapeutic compounds SMITHKLINE BEECHAM CORPORATION (US) 2007-01-09 — — US disclosed
EP-1341788-B1 PYRAZOLOPYRIDINES GLAXO GROUP LTD (GB) 2005-08-10 — — EP disclosed
US-20050171133-A1 Therapeutic compounds CHAMBERLAIN STANLEY D (US) 2005-08-04 — — US disclosed
US-6919352-B2 Pyrazolopyridinyl pyridine and pyrimidine therapeutic compounds SMITHKLINE BEECHAM CORPORATION (US) 2005-07-19 — — US disclosed
US-20040072853-A1 Therapeutic compounds CHAMBERLAIN STANLEY D (US) 2004-04-15 — — 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-20040072853-A1 Therapeutic compounds PCSK9, ABCB1, FURIN L3MBTL1 4861/4885GAA 63/4885CA1 2208/4885
US-20050171133-A1 Therapeutic compounds PCSK9, FURIN, CYP11B2 L3MBTL1 4860/4885GAA 62/4885CA1 2165/4885

“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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