SCHEMBL4964737

SCHEMBL4964737

O=C1c2ncc3c(c(CNC4CCOCC4)cn3Cc3ccc(F)cc3)c2CCN1O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 1/20 0.37
▸ PDE1C Q14123 3/20 0.37
▸ PDE1A P54750 2/20 0.37
▸ PDE1B Q01064 2/20 0.37
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ CYP2D6 P10635 1/20 0.34
▸ HRH1 P35367 1/20 0.34
▸ KCNH2 Q12809 1/20 0.34
▸ MAPK1 P28482 3/20 0.34
▸ MAPT P10636 1/20 0.34
▸ P2RX3 P56373 2/20 0.34
▸ RXFP1 Q9HBX9 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ BCHE P06276 2/20 0.33
▸ ACHE P22303 2/20 0.33
▸ BACE1 P56817 2/20 0.33
▸ TP53 P04637 1/20 0.33
▸ PDCD1 Q15116 1/20 0.33

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
SCHEMBL5427803 0.92 MEN1 (0.37) PARP1PDE1CPDE1APDE1BMEN1
SCHEMBL4964710 0.86 MEN1 (0.41) PDE1CPDE1APDE1BMEN1KMT2A
SCHEMBL5431866 0.85 PDE1A (0.39) PDE1CPDE1APDE1BMEN1KMT2A
SCHEMBL14541851 0.85 RXFP1 (0.33) MEN1KMT2AKCNH2MAPTRXFP1
SCHEMBL4964507 0.83 MEN1 (0.41) PDE1CPDE1APDE1BMEN1KMT2A
SCHEMBL5424794 0.83 MEN1 (0.36) PDE1CPDE1APDE1BMEN1KMT2A
SCHEMBL4963876 0.83 PDE1C (0.37) PDE1CPDE1APDE1BMEN1KMT2A
SCHEMBL4963385 0.83 MEN1 (0.36) MEN1KMT2ACYP2D6MAPK1MAPT
SCHEMBL14506535 0.82 MEN1 (0.35) PDE1CPDE1APDE1BMEN1KMT2A
SCHEMBL4967431 0.82 KMT2A (0.40) MEN1KMT2ACYP2D6MAPK1MAPT

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 PARP1 744/4885PDE1C 3563/4885PDE1A 3049/4885

“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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