SCHEMBL908396

SCHEMBL908396

CC(On1[c]nc2ccccc21)C(F)F

nearest known ligand 0.33

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.33
HPGD P15428 4/20 0.33
KDM4E B2RXH2 4/20 0.33
GLA P06280 2/20 0.33
GAA P10253 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
NPC1 O15118 1/20 0.33
TP53 P04637 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
POLB P06746 2/20 0.32
HSD17B10 Q99714 2/20 0.32
KMT2A Q03164 4/20 0.31
MEN1 O00255 3/20 0.31
TSHR P16473 2/20 0.31
LMNA P02545 1/20 0.31
TDP1 Q9NUW8 1/20 0.30
SLC9A1 P19634 1/20 0.30
APAF1 O14727 1/20 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
SCHEMBL557928 0.74 SMN1; SMN2 (0.36) ALDH1A1HPGDKDM4EGLAGAA
SCHEMBL909189 0.73 TSHR (0.31) POLBTSHR
SCHEMBL909191 0.71 MAPK1 (0.33) ALDH1A1KDM4ESMN1; SMN2POLBSLC9A1
SCHEMBL10832864 0.70 SLC9A1 (0.37) ALDH1A1HPGDKDM4EGLAGAA
SCHEMBL909858 0.67 POLB (0.35) ALDH1A1HPGDKDM4EGLAGAA
SCHEMBL1831523 0.67 ALDH1A1 (0.42) ALDH1A1HPGDKDM4EGLAGAA
SCHEMBL9372396 0.66 SLC9A1 (0.40) ALDH1A1HPGDKDM4EGAAL3MBTL1
SCHEMBL558259 0.64 ATM (0.39) ALDH1A1HPGDKDM4EGLAGAA
SCHEMBL75687 0.64 SLC9A1 (0.43) ALDH1A1HPGDKDM4EGLAGAA
SCHEMBL811367 0.64 ATM (0.39) ALDH1A1HPGDKDM4EGLAGAA

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
US-20110053907-A1 SUBSTITUTED PYRIMIDINES AND TRIAZINES AND THEIR USE IN CANCER THERAPY AUCKLAND UNISERVICES LIMITED (NZ) 2011-03-03 US claimed
EP-2276750-A2 SUBSTITUTED PYRIMIDINES AND TRIAZINES AND THEIR USE IN CANCER THERAPY Auckland Uniservices Limited (NZ) 2011-01-26 EP claimed
WO-2009120094-A2 SUBSTITUTED PYRIMIDINES AND TRIAZINES AND THEIR USE IN CANCER THERAPY AUCKLAND UNISERVICES LIMITED (NZ) 2009-10-01 WO claimed
US-20110053907-A1 SUBSTITUTED PYRIMIDINES AND TRIAZINES AND THEIR USE IN CANCER THERAPY AUCKLAND UNISERVICES LIMITED (NZ) 2011-03-03 US disclosed
EP-2276750-A2 SUBSTITUTED PYRIMIDINES AND TRIAZINES AND THEIR USE IN CANCER THERAPY Auckland Uniservices Limited (NZ) 2011-01-26 EP disclosed
WO-2009120094-A2 SUBSTITUTED PYRIMIDINES AND TRIAZINES AND THEIR USE IN CANCER THERAPY AUCKLAND UNISERVICES LIMITED (NZ) 2009-10-01 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-20110053907-A1 SUBSTITUTED PYRIMIDINES AND TRIAZINES AND THEIR USE IN CANCER THERAPY PIK3CA, PIK3R5, PIK3CD ALDH1A1 2617/4885HPGD 2687/4885KDM4E 739/4885

“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.