SCHEMBL14944883

SCHEMBL14944883

NCCc1ccc2nsnc2c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 2/20 0.55
TAAR1 Q96RJ0 10/20 0.44
KDM4E B2RXH2 4/20 0.44
ADRA2A P08913 3/20 0.44
SLC6A2 P23975 3/20 0.44
MAPT P10636 2/20 0.44
DRD2 P14416 2/20 0.44
DRD1 P21728 2/20 0.44
DRD4 P21917 2/20 0.44
DRD5 P21918 2/20 0.44
MAPK1 P28482 2/20 0.44
DRD3 P35462 2/20 0.44
RECQL P46063 2/20 0.44
SLC6A3 Q01959 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
ALDH1A1 P00352 2/20 0.44
HTR1A P08908 2/20 0.44
PNMT P11086 1/20 0.44
TP53 P04637 1/20 0.44
ADRB2 P07550 1/20 0.44

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
SCHEMBL3275924 0.83 PTPN11 (0.54) PTPN11KDM4EMAPTRECQLALDH1A1
SCHEMBL5654842 0.82 ALDH1A1 (0.47) PTPN11KDM4EMAPTRECQLTDP1
Hydrochloric Acid SCHEMBL5957709 0.82 PTPN11 (0.52) PTPN11KDM4EMAPTRECQLALDH1A1
SCHEMBL8229673 0.80 PTPN11 (0.45) PTPN11KDM4EMAPTRECQLALDH1A1
SCHEMBL22900317 0.76 PTPN11 (0.41) PTPN11KDM4EMAPTRECQLALDH1A1
SCHEMBL245270 0.75 PTPN11 (0.48) PTPN11KDM4EMAPTRECQLALDH1A1
SCHEMBL5262949 0.75 PTPN11 (0.48) PTPN11KDM4EMAPTRECQLALDH1A1
SCHEMBL257319 0.75 PTPN11 (0.48) PTPN11KDM4EMAPTRECQLALDH1A1
SCHEMBL4682270 0.75 PTPN11 (0.48) PTPN11KDM4EMAPTMAPK1RECQL
SCHEMBL8724132 0.74 PTPN11 (0.48) PTPN11KDM4EMAPTMAPK1RECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10000555-B2 Monomethylvaline compounds having phenylalanine side-chain modification at the C-terminus SEATTLE GENETICS, INC. (US) 2018-06-19 US disclosed
US-20130123465-A1 MONOMETHYLVALINE COMPOUNDS HAVING PHENYLALANINE SIDE-CHAIN MODIFICATIONS AT THE C-TERMINUS SEATTLE GENETICS, INC. (US) 2013-05-16 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 (2 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-20130123465-A1 MONOMETHYLVALINE COMPOUNDS HAVING PHENYLALANINE SIDE-CHAIN MODIFICATIONS AT THE C-TERMINUS MMAB, PTMS, DNPEP PTPN11 3639/4885TAAR1 4174/4885KDM4E 648/4885
US-10000555-B2 Monomethylvaline compounds having phenylalanine side-chain modification at the C-terminus PTMS, MMAB, DNPEP PTPN11 3602/4885TAAR1 4189/4885KDM4E 608/4885

“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.