SCHEMBL3497512

SCHEMBL3497512

O=C(NCc1ccccn1)c1cn(Cc2ccc(F)cc2)c2cnc3c(=O)n(O)ccc3c12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 1/20 0.45
▸ KDM4E B2RXH2 3/20 0.42
▸ MAPT P10636 2/20 0.42
▸ HSD17B10 Q99714 2/20 0.42
▸ PDE10A Q9Y233 1/20 0.42
▸ SCD O00767 2/20 0.42
▸ ALDH1A1 P00352 6/20 0.41
▸ TRPA1 O75762 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ POLB P06746 2/20 0.41
▸ HPGD P15428 3/20 0.40
▸ DGAT2 Q96PD7 1/20 0.40
▸ GLA P06280 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ MEN1 O00255 1/20 0.39
▸ USP2 O75604 1/20 0.39
▸ HSP90AA1 P07900 1/20 0.39
▸ HSP90AB1 P08238 1/20 0.39
▸ YWHAG P61981 1/20 0.39
▸ KMT2A Q03164 1/20 0.39

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
SCHEMBL3495444 0.85 TP53 (0.41) TP53KDM4ESCDALDH1A1SMN1; SMN2
SCHEMBL3495362 0.85 NAMPT (0.40) TP53KDM4EHSD17B10ALDH1A1SMN1; SMN2
SCHEMBL3495640 0.85 IDO1 (0.38) TP53KDM4EMAPTHSD17B10PDE10A
SCHEMBL4965568 0.82 POLB (0.39) TP53KDM4EALDH1A1SMN1; SMN2POLB
SCHEMBL14302890 0.81 KDM4E (0.43) TP53KDM4EALDH1A1SMN1; SMN2POLB
SCHEMBL3496814 0.79 HTT (0.39) TP53KDM4EALDH1A1SMN1; SMN2POLB
SCHEMBL3496608 0.78 KDM4E (0.39) TP53KDM4EMAPTALDH1A1SMN1; SMN2
SCHEMBL3495940 0.78 MEN1 (0.43) TP53MAPTALDH1A1POLBMEN1
SCHEMBL4964868 0.76 CYP19A1 (0.39) TP53KDM4EMAPTALDH1A1SMN1; SMN2
SCHEMBL3494396 0.76 POLB (0.40) TP53POLBFSCN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100137283-A1 INHIBITORS OF THE HIV INTEGRASE ENZYME PFIZER INC 2010-06-03 — — US claimed
EP-1751157-B1 INHIBITORS OF THE HIV INTEGRASE ENZYME PFIZER (US) 2007-10-03 — — EP claimed
EP-1751157-A1 INHIBITORS OF THE HIV INTEGRASE ENZYME PFIZER INC. (US) 2007-02-14 — — EP claimed
US-20050277661-A1 Inhibitors of the HIV integrase enzyme AGOURON PHARMACEUTICALS, INC. 2005-12-15 — — US claimed
WO-2005103051-A1 INHIBITORS OF THE HIV INTEGRASE ENZYME PFIZER INC. (US) 2005-11-03 — — WO claimed
US-20100137283-A1 INHIBITORS OF THE HIV INTEGRASE ENZYME PFIZER INC 2010-06-03 — — US disclosed
US-20100137283-A1 INHIBITORS OF THE HIV INTEGRASE ENZYME PFIZER INC 2010-06-03 — — US disclosed
US-20100137283-A1 INHIBITORS OF THE HIV INTEGRASE ENZYME PFIZER INC 2010-06-03 — — US disclosed
US-7692014-B2 Inhibitors of the HIV integrase enzyme PFIZER, INC. (US) 2010-04-06 — — US disclosed
US-7692014-B2 Inhibitors of the HIV integrase enzyme PFIZER, INC. (US) 2010-04-06 — — US disclosed
US-7692014-B2 Inhibitors of the HIV integrase enzyme PFIZER, INC. (US) 2010-04-06 — — US disclosed
EP-1873155-A1 Inhibitors of the HIV integrase enzyme PFIZER INC. (US) 2008-01-02 — — EP disclosed
EP-1873155-A1 Inhibitors of the HIV integrase enzyme PFIZER INC. (US) 2008-01-02 — — EP disclosed
EP-1751157-B1 INHIBITORS OF THE HIV INTEGRASE ENZYME PFIZER (US) 2007-10-03 — — EP disclosed
EP-1751157-A1 INHIBITORS OF THE HIV INTEGRASE ENZYME PFIZER INC. (US) 2007-02-14 — — EP disclosed
US-20050277661-A1 Inhibitors of the HIV integrase enzyme AGOURON PHARMACEUTICALS, INC. 2005-12-15 — — US disclosed
WO-2005103051-A1 INHIBITORS OF THE HIV INTEGRASE ENZYME PFIZER INC. (US) 2005-11-03 — — 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 (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-20050277661-A1 Inhibitors of the HIV integrase enzyme IMPDH1, INTS9, TYMP TP53 537/4885KDM4E 821/4885MAPT 600/4885
US-20100137283-A1 INHIBITORS OF THE HIV INTEGRASE ENZYME IMPDH1, INTS9, TYMP TP53 537/4885KDM4E 821/4885MAPT 600/4885

“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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