SCHEMBL4964875

SCHEMBL4964875

CC(CN(C)C)NCc1cn(Cc2ccc(F)cc2)c2cnc3c(=O)n(O)ccc3c12

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.33
▸ ALDH1A1 P00352 3/20 0.33
▸ POLB P06746 3/20 0.32
▸ PDE1A P54750 1/20 0.31
▸ PDE1B Q01064 1/20 0.31
▸ PDE1C Q14123 1/20 0.31
▸ CYP19A1 P11511 2/20 0.31
▸ MEN1 O00255 2/20 0.31
▸ KMT2A Q03164 2/20 0.31
▸ FSCN1 Q16658 1/20 0.31
▸ MAPT P10636 3/20 0.31
▸ PRNP P04156 1/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ GRIN2B Q13224 1/20 0.30
▸ HDAC3 O15379 1/20 0.30
▸ HDAC1 Q13547 1/20 0.30
▸ HDAC2 Q92769 1/20 0.30
▸ HDAC10 Q969S8 1/20 0.30
▸ HDAC8 Q9BY41 1/20 0.30

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
SCHEMBL3496366 0.86 HDAC1 (0.38) KDM4EALDH1A1POLBPDE1APDE1B
SCHEMBL14302885 0.85 ALDH1A1 (0.37) KDM4EALDH1A1POLBPDE1APDE1B
SCHEMBL4962801 0.84 KDM4E (0.34) KDM4EALDH1A1POLBCYP19A1MEN1
SCHEMBL5430732 0.84 CNR2 (0.40) PDE1BPDE1CCYP19A1MAPT
SCHEMBL3494704 0.83 KDM4E (0.32) KDM4EALDH1A1POLBPDE1APDE1B
SCHEMBL4965499 0.82 KDM4E (0.33) KDM4EALDH1A1POLBPDE1APDE1B
SCHEMBL4964868 0.82 CYP19A1 (0.39) KDM4EALDH1A1POLBCYP19A1MEN1
SCHEMBL3495823 0.82 MCHR1 (0.36) KDM4EALDH1A1POLBPDE1APDE1B
SCHEMBL4962820 0.82 KDM4E (0.37) KDM4EALDH1A1POLBCYP19A1MEN1
SCHEMBL14303283 0.81 KDM4E (0.36) KDM4EALDH1A1POLBPDE1APDE1B

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 5 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

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 KDM4E 821/4885ALDH1A1 437/4885POLB 34/4885

“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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