SCHEMBL2090637

SCHEMBL2090637

COc1ccc2cc3c(N)n[nH]c3nc2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NCF1 P14598 1/20 0.47
▸ ILK Q13418 2/20 0.46
▸ KDM4E B2RXH2 6/20 0.43
▸ ALDH1A1 P00352 6/20 0.43
▸ HTT P42858 6/20 0.43
▸ GAA P10253 3/20 0.43
▸ HPGD P15428 3/20 0.43
▸ HSD17B10 Q99714 2/20 0.43
▸ GLA P06280 1/20 0.43
▸ CASP1 P29466 1/20 0.43
▸ CLK1 P49759 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ GFER P55789 1/20 0.42
▸ MAPT P10636 6/20 0.42
▸ POLB P06746 2/20 0.42
▸ THRB P10828 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ SMN1; SMN2 Q16637 4/20 0.41
▸ TP53 P04637 2/20 0.41
▸ MEN1 O00255 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
SCHEMBL10333750 0.88 PDE3B (0.54) NCF1ILKKDM4EALDH1A1POLB
SCHEMBL10334199 0.84 NCF1 (0.47) NCF1KDM4EALDH1A1HSD17B10MAPT
SCHEMBL10333474 0.84 ALDH1A1 (0.51) NCF1KDM4EALDH1A1HTTGAA
SCHEMBL10333403 0.78 PDE3B (0.51) KDM4EALDH1A1GAAHPGDHSD17B10
SCHEMBL10333628 0.76 ILK (0.42) ILKKDM4EALDH1A1HTTGAA
SCHEMBL10333619 0.74 GAA (0.57) KDM4EALDH1A1GAAHPGDGLA
SCHEMBL7257484 0.72 KDM4E (0.46) ILKKDM4EALDH1A1HTTGAA
SCHEMBL25366182 0.72 GAA (0.58) ILKKDM4EALDH1A1GAAHPGD
SCHEMBL17942871 0.72 NCF1 (0.54) NCF1KDM4EALDH1A1L3MBTL1GFER
SCHEMBL4037617 0.72 NCF1 (0.54) NCF1KDM4EALDH1A1GAAHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080318959-A1 Compounds that Inhibit Hiv Particle Formation UNIVERSITY OF VIRGINIA 2008-12-25 — — US claimed
WO-2005076861-A2 COMPOUNDS THAT INHIBIT HIV PARTICLE FORMATION UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2005-08-25 — — WO claimed
US-4920128-A TREATMENT OF HERPES VIRUS STERLING DRUG INC. (US) 1990-04-24 — — US claimed
US-20110152301-A1 Compounds that Inhibit HIV Particle Formation UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2011-06-23 — — US disclosed
US-20110152301-A1 Compounds that Inhibit HIV Particle Formation UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2011-06-23 — — US disclosed
US-7875604-B2 using 3-amino-5-ethyl-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2011-01-25 — — US disclosed
US-7875604-B2 using 3-amino-5-ethyl-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2011-01-25 — — US disclosed
US-7875604-B2 using 3-amino-5-ethyl-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2011-01-25 — — US disclosed
US-20080318959-A1 Compounds that Inhibit Hiv Particle Formation UNIVERSITY OF VIRGINIA 2008-12-25 — — US disclosed
US-20080318959-A1 Compounds that Inhibit Hiv Particle Formation UNIVERSITY OF VIRGINIA 2008-12-25 — — US disclosed
US-20080318959-A1 Compounds that Inhibit Hiv Particle Formation UNIVERSITY OF VIRGINIA 2008-12-25 — — US disclosed
WO-2005076861-A2 COMPOUNDS THAT INHIBIT HIV PARTICLE FORMATION UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2005-08-25 — — WO disclosed
US-4920128-A TREATMENT OF HERPES VIRUS STERLING DRUG INC. (US) 1990-04-24 — — 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-20110152301-A1 Compounds that Inhibit HIV Particle Formation REV1, VPS51, FLOT1 NCF1 590/4885ILK 3257/4885KDM4E 3600/4885
US-20080318959-A1 Compounds that Inhibit Hiv Particle Formation REV1, VPS51, FLOT1 NCF1 590/4885ILK 3257/4885KDM4E 3600/4885

“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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