SCHEMBL4962762

SCHEMBL4962762

CN(CCO)Cc1cn(Cc2ccc(F)cc2)c2cnc3c(c12)CCN(O)C3=O

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ P2RX7 Q99572 2/20 0.33
▸ KCNH2 Q12809 2/20 0.32
▸ REN P00797 1/20 0.32
▸ PKM P14618 1/20 0.32
▸ PLA2G7 Q13093 3/20 0.31
▸ CYP2D6 P10635 2/20 0.31
▸ HRH1 P35367 1/20 0.31
▸ CACNB4 O00305 1/20 0.31
▸ CACNA1A O00555 1/20 0.31
▸ CACNA1G O43497 1/20 0.31
▸ CACNG3 O60359 1/20 0.31
▸ CACNA1F O60840 1/20 0.31
▸ CACNA1H O95180 1/20 0.31
▸ CACNB3 P54284 1/20 0.31
▸ CACNA2D1 P54289 1/20 0.31
▸ CACNG7 P62955 1/20 0.31
▸ CACNA1B Q00975 1/20 0.31
▸ CACNA1D Q01668 1/20 0.31
▸ CACNB1 Q02641 1/20 0.31
▸ CACNG1 Q06432 1/20 0.31

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
SCHEMBL4962193 0.91 PKM (0.36) P2RX7KCNH2RENPKMCYP2D6
SCHEMBL4962825 0.91 ALDH1A1 (0.36) P2RX7KCNH2RENPKMPLA2G7
SCHEMBL4964833 0.90 HDAC1 (0.35) P2RX7KCNH2RENPKMCYP2D6
SCHEMBL4966274 0.89 P2RX7 (0.33) P2RX7KCNH2RENPKMCACNB4
SCHEMBL4962815 0.89 LMNA (0.33) P2RX7KCNH2RENPKMCACNB4
SCHEMBL4965064 0.88 REN (0.34) P2RX7KCNH2RENPKMCACNB4
SCHEMBL4965046 0.87 HTR6 (0.37) PKMCYP2D6CACNB4CACNA1ACACNA1G
SCHEMBL14506537 0.87 MEN1 (0.35) KCNH2PKMCYP2D6CACNB4CACNA1A
SCHEMBL4963385 0.86 MEN1 (0.36) PKMCYP2D6MEN1KMT2AMAPT
SCHEMBL5419724 0.86 KDM4E (0.43) P2RX7KCNH2RENPKMNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1934220-A1 INHIBITORS OF THE HIV INTEGRASE ENZYME Pfizer Products Incorporated (US) 2008-06-25 — — EP disclosed
US-20070099915-A1 INHIBITORS OF THE HIV INTEGRASE ENZYME PFIZER INC. 2007-05-03 — — US disclosed
US-20070099915-A1 INHIBITORS OF THE HIV INTEGRASE ENZYME PFIZER INC. 2007-05-03 — — US disclosed
US-20070099915-A1 INHIBITORS OF THE HIV INTEGRASE ENZYME PFIZER INC. 2007-05-03 — — US disclosed
WO-2007042883-A1 INHIBITORS OF THE HIV INTEGRASE ENZYME PFIZER PRODUCTS INC. (US) 2007-04-19 — — WO disclosed
WO-2007042883-A1 INHIBITORS OF THE HIV INTEGRASE ENZYME PFIZER PRODUCTS INC. (US) 2007-04-19 — — 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 (1 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-20070099915-A1 INHIBITORS OF THE HIV INTEGRASE ENZYME IMPDH1, INTS9, TYMP P2RX7 4595/4885KCNH2 4108/4885REN 1840/4885

“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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