SCHEMBL5427803

SCHEMBL5427803

O=C1c2ncc3c(c(CCNC4CCOCC4)cn3Cc3ccc(F)cc3)c2CCN1O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ PDE1B Q01064 3/20 0.36
▸ PDE1C Q14123 3/20 0.36
▸ PDE1A P54750 2/20 0.36
▸ P2RX3 P56373 3/20 0.34
▸ RXFP1 Q9HBX9 1/20 0.34
▸ CYP2D6 P10635 1/20 0.33
▸ HRH1 P35367 1/20 0.33
▸ KCNH2 Q12809 1/20 0.33
▸ MAPK1 P28482 2/20 0.33
▸ MAPT P10636 1/20 0.33
▸ PTH1R Q03431 1/20 0.32
▸ PARP1 P09874 1/20 0.32
▸ P2RX7 Q99572 2/20 0.32
▸ PDE9A O76083 1/20 0.31
▸ PDE7A Q13946 1/20 0.31
▸ CCNA2 P20248 1/20 0.31
▸ CDK2 P24941 1/20 0.31
▸ MAPK3 P27361 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
SCHEMBL4964737 0.92 PARP1 (0.37) MEN1KMT2APDE1BPDE1CPDE1A
SCHEMBL4964507 0.85 MEN1 (0.41) MEN1KMT2APDE1BPDE1CPDE1A
SCHEMBL4963876 0.85 PDE1C (0.37) MEN1KMT2APDE1BPDE1CPDE1A
SCHEMBL5424794 0.85 MEN1 (0.36) MEN1KMT2APDE1BPDE1CPDE1A
SCHEMBL4964710 0.84 MEN1 (0.41) MEN1KMT2APDE1BPDE1CPDE1A
SCHEMBL5431866 0.84 PDE1A (0.39) MEN1KMT2APDE1BPDE1CPDE1A
SCHEMBL14506535 0.84 MEN1 (0.35) MEN1KMT2APDE1BPDE1CPDE1A
SCHEMBL4967431 0.84 KMT2A (0.40) MEN1KMT2ACYP2D6MAPK1MAPT
SCHEMBL14506537 0.83 MEN1 (0.35) MEN1KMT2ARXFP1CYP2D6KCNH2
SCHEMBL4963866 0.82 MEN1 (0.33) MEN1KMT2ARXFP1CYP2D6MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 MEN1 4787/4885KMT2A 1367/4885PDE1B 3306/4885

“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.

Send feedback