SCHEMBL3230491

SCHEMBL3230491

CNc1cccc(N2CCN(CCO)CC2)c1

nearest known ligand 0.62

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 3/20 0.51
KCNH2 Q12809 4/20 0.49
HTR7 P34969 3/20 0.48
JAK2 O60674 1/20 0.46
JAK3 P52333 1/20 0.46
PTK2 Q05397 1/20 0.46
MAPT P10636 1/20 0.45
KMT2A Q03164 1/20 0.45
HTR1A P08908 1/20 0.45
EGFR P00533 1/20 0.45

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
SCHEMBL2376465 0.83 CHRNA7 (0.59) DRD2KCNH2MAPT
SCHEMBL3233107 0.81 GAA (0.47) DRD2KCNH2MAPTHTR1A
SCHEMBL2378486 0.81 ADRA2C (0.61) HTR7JAK2JAK3PTK2MAPT
SCHEMBL12879718 0.80 KCNH2 (0.74) DRD2KCNH2HTR7MAPT
SCHEMBL20241530 0.79 ACHE (0.54) DRD2HTR7MAPTKMT2AHTR1A
SCHEMBL1598706 0.78 DRD2 (0.74) DRD2KCNH2HTR7
SCHEMBL520966 0.78 ADRA2C (0.62) DRD2KCNH2HTR7MAPTHTR1A
SCHEMBL6263386 0.78 DRD4 (0.64) DRD2HTR7MAPTHTR1A
SCHEMBL306912 0.78 DRD2 (0.56) DRD2KCNH2HTR1A
SCHEMBL15743241 0.78 KCNH2 (0.76) DRD2KCNH2MAPTHTR1A

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-2050749-B1 PYRIMIDINE DERIVATIVE AS PI3K INHIBITOR AND USE THEREOF CHUGAI PHARMACEUTICAL CO LTD (JP) 2017-11-22 EP claimed
US-20100069629-A1 PYRIMIDINE DERIVATIVES AS PI3K INHIBITOR AND USE THEREOF CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2010-03-18 US claimed
EP-2050749-A1 PYRIMIDINE DERIVATIVE AS PI3K INHIBITOR AND USE THEREOF CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2009-04-22 EP claimed
EP-2050749-B1 PYRIMIDINE DERIVATIVE AS PI3K INHIBITOR AND USE THEREOF CHUGAI PHARMACEUTICAL CO LTD (JP) 2017-11-22 EP disclosed
US-20100069629-A1 PYRIMIDINE DERIVATIVES AS PI3K INHIBITOR AND USE THEREOF CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2010-03-18 US disclosed
EP-2050749-A1 PYRIMIDINE DERIVATIVE AS PI3K INHIBITOR AND USE THEREOF CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2009-04-22 EP 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-20100069629-A1 PYRIMIDINE DERIVATIVES AS PI3K INHIBITOR AND USE THEREOF PIK3CA, AKT3, AKT1 DRD2 3654/4885KCNH2 4096/4885HTR7 3606/4885

“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.