SCHEMBL4519601

SCHEMBL4519601

CCOc1cccc(C(F)(F)F)c1Br

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNK3 O14649 1/20 0.46
KCNK9 Q9NPC2 1/20 0.46
L3MBTL1 Q9Y468 6/20 0.44
HPGD P15428 3/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
GRM5 P41594 1/20 0.43
AR P10275 1/20 0.43
ALDH1A1 P00352 1/20 0.40
CTSS P25774 1/20 0.40
PDK2 Q15119 1/20 0.40
TRPA1 O75762 1/20 0.40
TDP1 Q9NUW8 2/20 0.38
KDM4E B2RXH2 1/20 0.38
KMT2A Q03164 1/20 0.38
P2RX7 Q99572 1/20 0.38
RXRA P19793 1/20 0.38
RXRB P28702 1/20 0.38
RXRG P48443 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38

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
SCHEMBL17041036 0.83 PIM1 (0.40) KCNK3KCNK9L3MBTL1ARP2RX7
SCHEMBL6946500 0.81 ALDH1A1 (0.50) KCNK3KCNK9L3MBTL1HPGDAR
SCHEMBL31035275 0.81 ALDH1A1 (0.50) KCNK3KCNK9L3MBTL1HPGDAR
SCHEMBL12761500 0.80 HPGD (0.55) L3MBTL1HPGDSMN1; SMN2ALDH1A1TDP1
SCHEMBL12299460 0.80 KCNK3 (0.47) KCNK3KCNK9L3MBTL1HPGDGRM5
SCHEMBL29863456 0.79 AR (0.43) HPGDSMN1; SMN2ARALDH1A1KDM4E
SCHEMBL22462781 0.79 AR (0.43) HPGDSMN1; SMN2ARALDH1A1KDM4E
SCHEMBL11712427 0.79 KCNK3 (0.44) KCNK3KCNK9L3MBTL1HPGDGRM5
SCHEMBL4523681 0.79 AR (0.46) L3MBTL1ARALDH1A1CTSSKDM4E
SCHEMBL8764099 0.79 KCNK3 (0.46) KCNK3KCNK9L3MBTL1HPGDGRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090105477-A1 Quinazoline Protein Tyrosine Phosphatase Inhibitors BERTHEL STEVEN JOSEPH 2009-04-23 US disclosed
EP-1812409-A1 AMINOQUINAZOLINES COMPOUNDS F. Hoffmann-Roche AG (CH) 2007-08-01 EP disclosed
US-20060211715-A1 Quinazoline protein tyrosine phosphatase inhibitors BERTHEL STEVEN J 2006-09-21 US disclosed
WO-2006050843-A1 AMINOQUINAZOLINES COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2006-05-18 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 (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-20090105477-A1 Quinazoline Protein Tyrosine Phosphatase Inhibitors PTPN5, PTPN1, PTPN7 KCNK3 2382/4885KCNK9 2932/4885L3MBTL1 4442/4885
US-20060211715-A1 Quinazoline protein tyrosine phosphatase inhibitors PTPN5, PTPN1, PTPN7 KCNK3 2382/4885KCNK9 2932/4885L3MBTL1 4442/4885

“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.