SCHEMBL6210264

SCHEMBL6210264

NC(c1ccccn1)c1nc(Cl)ncc1Br

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 5/20 0.34
SLC6A4 P31645 5/20 0.34
SLC6A3 Q01959 5/20 0.34
TDP1 Q9NUW8 1/20 0.32
PIN1 Q13526 1/20 0.32
KCNA5 P22460 3/20 0.31
TSHR P16473 2/20 0.31
KCNE1 P15382 1/20 0.31
MEN1 O00255 1/20 0.31
MAPT P10636 1/20 0.31
KMT2A Q03164 1/20 0.31
NPSR1 Q6W5P4 1/20 0.30
CHRM2 P08172 4/20 0.30
CHRM1 P11229 4/20 0.30
HRH1 P35367 4/20 0.30
KCNH2 Q12809 4/20 0.30
HRH3 Q9Y5N1 4/20 0.30
ADRA2B P18089 3/20 0.30
HTR2A P28223 3/20 0.30
CYP2D6 P10635 2/20 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
SCHEMBL6214256 0.82 RPS6KA5 (0.37) SLC6A2SLC6A4SLC6A3TDP1PIN1
SCHEMBL4089463 0.73 METAP1 (0.40) SLC6A2SLC6A4SLC6A3TDP1KCNA5
SCHEMBL6215293 0.72 MAPT (0.33) TSHRMAPT
SCHEMBL1131039 0.71 SLC6A2 (0.54) SLC6A2SLC6A4SLC6A3KCNA5TSHR
SCHEMBL2368819 0.71 CHRM4 (0.36) CHRM4
SCHEMBL6212769 0.71 ALDH1A1 (0.32) TSHR
Methane SCHEMBL28543758 0.69 SLC6A2 (0.52) SLC6A2SLC6A4SLC6A3KCNA5TSHR
Hydrochloric Acid SCHEMBL6775513 0.69 SLC6A2 (0.52) SLC6A2SLC6A4SLC6A3KCNA5TSHR
SCHEMBL6204712 0.67 ABL1 (0.33) MEN1KMT2AABL1BCR
SCHEMBL22964601 0.67 ABL1 (0.37) MEN1KMT2AABL1BCR

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
EP-1578732-A2 PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF ABNORMAL CELL GROWTH Pfizer Products Inc. (US) 2005-09-28 EP disclosed
US-20040220177-A1 Compound for the treatment of abnormal cell growth PFIZER INC 2004-11-04 US disclosed
WO-2004056786-A2 PYRIMIDINE DERIVATES FOR THE TREATMENT OF ABNORMAL CELL GROWTH PFIZER PRODUCTS INC. (US) 2004-07-08 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-20040220177-A1 Compound for the treatment of abnormal cell growth CCNA1, CCNB1, CCNT1 SLC6A2 3530/4885SLC6A4 3947/4885SLC6A3 3864/4885

“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.