SCHEMBL3230486

SCHEMBL3230486

NC(=O)c1cccc(N2CCN(CCO)CC2)c1

nearest known ligand 0.67

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 3/20 0.59
HTR1A P08908 4/20 0.50
FAAH O00519 3/20 0.50
DRD3 P35462 3/20 0.50
DRD2 P14416 3/20 0.50
HTR2A P28223 2/20 0.50
HTR6 P50406 1/20 0.50
KCNH2 Q12809 1/20 0.49
KDM4E B2RXH2 1/20 0.49
MEN1 O00255 1/20 0.49
ALDH1A1 P00352 1/20 0.49
GAA P10253 1/20 0.49
HPGD P15428 1/20 0.49
KMT2A Q03164 1/20 0.49
HSD17B10 Q99714 1/20 0.49
MAPT P10636 1/20 0.46

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
SCHEMBL6174497 0.88 KDM4E (0.65) HTR7HTR1ADRD2HTR2AKDM4E
SCHEMBL3205692 0.86 HTR7 (0.63) HTR7HTR1AFAAHDRD3DRD2
SCHEMBL3205704 0.85 HTR7 (0.62) HTR7HTR1AFAAHDRD3DRD2
SCHEMBL2377662 0.84 CHRNA7 (0.56) HTR7HTR1AFAAHDRD3DRD2
SCHEMBL3233096 0.83 MEN1 (0.53) HTR7MEN1ALDH1A1KMT2A
SCHEMBL520966 0.81 ADRA2C (0.62) HTR7HTR1ADRD3DRD2KCNH2
SCHEMBL1397689 0.81 ADRA2C (0.62) HTR7KDM4EMEN1ALDH1A1GAA
SCHEMBL30760618 0.81 ADRA2C (0.62) HTR7KDM4EMEN1ALDH1A1GAA
SCHEMBL6420684 0.81 ALOX5 (0.52) HTR7DRD2MEN1ALDH1A1KMT2A
Hydrochloric Acid SCHEMBL16209753 0.80 ADRA2C (0.60) HTR7KDM4EMEN1ALDH1A1GAA

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 HTR7 3606/4885HTR1A 2914/4885FAAH 4767/4885

“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.