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SCHEMBL3258243

SCHEMBL3258243

CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)Nc2c[c]ccc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC4 P56524 1/20 0.60
▸ HDAC7 Q8WUI4 1/20 0.60
▸ HDAC9 Q9UKV0 1/20 0.60
▸ HDAC5 Q9UQL6 1/20 0.60
▸ DHFR P00374 10/20 0.59
▸ KDM4E B2RXH2 1/20 0.59
▸ TLR4 O00206 1/20 0.59
▸ MEN1 O00255 1/20 0.59
▸ ALDH1A1 P00352 1/20 0.59
▸ LMNA P02545 1/20 0.59
▸ TP53 P04637 1/20 0.59
▸ TYMS P04818 1/20 0.59
▸ GLA P06280 1/20 0.59
▸ POLB P06746 1/20 0.59
▸ HMGB1 P09429 1/20 0.59
▸ MAPT P10636 1/20 0.59
▸ FOLR2 P14207 1/20 0.59
▸ FOLR1 P15328 1/20 0.59
▸ HPGD P15428 1/20 0.59
▸ ALOX15 P16050 1/20 0.59

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
SCHEMBL4813779 0.85 HDAC4 (0.64) HDAC4HDAC7HDAC9HDAC5DHFR
SCHEMBL14400777 0.82 HDAC4 (0.73) HDAC4HDAC7HDAC9HDAC5DHFR
SCHEMBL22201137 0.82 HDAC4 (0.70) HDAC4HDAC7HDAC9HDAC5DHFR
Hydrochloric Acid SCHEMBL3171572 0.79 DHFR (0.69) HDAC4HDAC7HDAC9HDAC5DHFR
SCHEMBL29658170 0.79 DHFR (0.71) HDAC4HDAC7HDAC9HDAC5DHFR
SCHEMBL221621 0.79 DHFR (0.71) HDAC4HDAC7HDAC9HDAC5DHFR
SCHEMBL13985918 0.79 DHFR (0.71) HDAC4HDAC7HDAC9HDAC5DHFR
SCHEMBL11913611 0.79 DHFR (0.71) HDAC4HDAC7HDAC9HDAC5DHFR
SCHEMBL20223656 0.79 DHFR (0.70) HDAC4HDAC7HDAC9HDAC5DHFR
SCHEMBL13530082 0.78 HDAC4 (0.73) HDAC4HDAC7HDAC9HDAC5DHFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100022467-A1 ANTI-CANCER PHOSPHONATE ANALOGS BOOJAMRA CONSTANTINE G 2010-01-28 — — US disclosed
US-20090247488-A1 ANTI-INFLAMMATORY PHOSPHONATE COMPOUNDS CANNIZZARO CARINA 2009-10-01 — — US disclosed
US-20090227543-A1 PHOSPHONATE COMPOUNDS HAVING IMMUNO-MODULATORY ACTIVITY CANNIZZARO CARINA 2009-09-10 — — US disclosed
US-20090156558-A1 PHOSPHONATE ANALOGS OF ANTIMETABOLITES FARDIS MARIA 2009-06-18 — — US disclosed
US-7470724-B2 Phosphonate compounds having immuno-modulatory activity GILEAD SCIENCES, INC. (US) 2008-12-30 — — US disclosed
US-7452901-B2 Anti-cancer phosphonate analogs GILEAD SCIENCES, INC. (US) 2008-11-18 — — US disclosed
US-7432261-B2 Anti-inflammatory phosphonate compounds GILEAD SCIENCES, INC. (US) 2008-10-07 — — US disclosed
US-7432273-B2 Phosphonate analogs of antimetabolites GILEAD SCIENCES, INC. (US) 2008-10-07 — — US disclosed
US-20070027114-A1 Phosphonate analogs of antimetabolites GILEAD SCIENCES INC. 2007-02-01 — — US disclosed
US-20060199788-A1 Anti-inflammatory phosphonate compounds GILEAD SCIENCES, INC. 2006-09-07 — — US disclosed
EP-1663254-A2 ANTI-INFLAMATORY PHOSPHONATE CONJUGATES GILEAD SCIENCES, INC. (US) 2006-06-07 — — EP disclosed
US-20060079478-A1 Anti-cancer phosphonate analogs GILEAD SCIENCES, INC. 2006-04-13 — — US disclosed
US-20060035866-A1 Phosphonate compounds having immuno-modulatory activity GILEAD SCIENCES, INC. 2006-02-16 — — US disclosed
EP-1620110-A2 IMMUNOMODULATOR PHOSPHONATE CONJUGATES GILEAD SCIENCES, INC. (US) 2006-02-01 — — EP disclosed
EP-1617848-A2 ANTI-CANCER PHOSPHONATE CONJUGATES GILEAD SCIENCES, INC. (US) 2006-01-25 — — EP disclosed
WO-2005044308-A1 PHOSPHONATE ANALOGS OF ANTIMETABOLITES GILEAD SCIENCES, INC. (US) 2005-05-19 — — WO disclosed
WO-2004100960-A2 ANTI-INFLAMMATORY PHOSPHONATE COMPOUNDS GILEAD SCIENCES, INC. (US) 2004-11-25 — — WO disclosed
WO-2004096235-A2 ANTI-CANCER PHOSPHONATE ANALOGS GILEAD SCIENCES, INC. (US) 2004-11-11 — — WO disclosed
WO-2004096236-A2 IMMUNOMODULATOR PHOSPHONATE CONJUGATES GILEAD SCIENCES, INC. (US) 2004-11-11 — — 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 (8 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-20090156558-A1 PHOSPHONATE ANALOGS OF ANTIMETABOLITES TYMP, PHOSPHO1, PHPT1 HDAC4 2360/4885HDAC7 2847/4885HDAC9 2239/4885
US-20060035866-A1 Phosphonate compounds having immuno-modulatory activity PHOSPHO1, NFATC1, IFNG HDAC4 977/4885HDAC7 1226/4885HDAC9 700/4885
US-20090227543-A1 PHOSPHONATE COMPOUNDS HAVING IMMUNO-MODULATORY ACTIVITY PHOSPHO1, NFATC1, IFNG HDAC4 977/4885HDAC7 1226/4885HDAC9 700/4885
US-20060079478-A1 Anti-cancer phosphonate analogs PIK3CA, PHOSPHO1, PTEN HDAC4 586/4885HDAC7 937/4885HDAC9 400/4885
US-20090247488-A1 ANTI-INFLAMMATORY PHOSPHONATE COMPOUNDS PHOSPHO1, TNF, PTGES HDAC4 1379/4885HDAC7 2167/4885HDAC9 1117/4885
US-20070027114-A1 Phosphonate analogs of antimetabolites TYMP, PHOSPHO1, PHPT1 HDAC4 2360/4885HDAC7 2847/4885HDAC9 2239/4885
US-20060199788-A1 Anti-inflammatory phosphonate compounds PHOSPHO1, TNF, PTGES HDAC4 1379/4885HDAC7 2167/4885HDAC9 1117/4885
US-20100022467-A1 ANTI-CANCER PHOSPHONATE ANALOGS PIK3CA, PHOSPHO1, PTEN HDAC4 586/4885HDAC7 937/4885HDAC9 400/4885

“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.