SCHEMBL3638874

SCHEMBL3638874

FC(F)(F)CNCc1cc2ccccc2cn1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CYP2D6 P10635 1/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
SLC6A3 Q01959 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2A6 P11509 1/20 0.38
PDPK1 O15530 1/20 0.38
KDM4C Q9H3R0 1/20 0.36
NPC1 O15118 1/20 0.36
PDE10A Q9Y233 3/20 0.35
ALDH1A1 P00352 1/20 0.34
IDH1 O75874 1/20 0.34
MAPK1 P28482 2/20 0.34
MAPT P10636 1/20 0.33
SLC8A1 P32418 1/20 0.33
PLAU P00749 1/20 0.33

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
SCHEMBL13796417 0.84 ATM (0.50) ATML3MBTL1CYP1A2CYP2A6PDPK1
SCHEMBL3636909 0.78 CYP1A2 (0.46) ATML3MBTL1CYP1A2CYP2A6PDPK1
SCHEMBL3641581 0.77 ATM (0.45) ATML3MBTL1CYP1A2CYP2A6PDPK1
SCHEMBL3633864 0.74 ATM (0.51) ATML3MBTL1CYP2D6SLC6A2SLC6A4
SCHEMBL6705337 0.74 ATM (0.47) ATML3MBTL1CYP1A2CYP2A6PDPK1
SCHEMBL2314292 0.73 EGLN1 (0.48) ATML3MBTL1CYP1A2ALDH1A1MAPK1
SCHEMBL13877431 0.73 CYP2D6 (0.44) ATML3MBTL1CYP2D6CYP1A2CYP2A6
SCHEMBL6047218 0.73 CHRM2 (0.56) L3MBTL1NPC1ALDH1A1
SCHEMBL4372822 0.71 MAOA (0.53) ATML3MBTL1CYP1A2CYP2A6PDPK1
SCHEMBL24468397 0.70 KDM1A (0.48) NPC1ALDH1A1MAPK1

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-2155751-A1 PYRROLOPYRIMIDIN-7-ONE DERIVATIVES AND THEIR USE AS PHARMACEUTICALS AstraZeneca AB (SE) 2010-02-24 EP disclosed
US-20090099195-A1 Therapeutic Compounds 570 ASTRAZENECA AB (SE) 2009-04-16 US disclosed
US-20090099195-A1 Therapeutic Compounds 570 ASTRAZENECA AB (SE) 2009-04-16 US disclosed
US-20090099195-A1 Therapeutic Compounds 570 ASTRAZENECA AB (SE) 2009-04-16 US disclosed
WO-2008136756-A1 PYRROLOPYRIMIDIN-7-ONE DERIVATIVES AND THEIR USE AS PHARMACEUTICALS ASTRAZENECA AB (SE) 2008-11-13 WO disclosed
WO-2008136756-A1 PYRROLOPYRIMIDIN-7-ONE DERIVATIVES AND THEIR USE AS PHARMACEUTICALS ASTRAZENECA AB (SE) 2008-11-13 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-20090099195-A1 Therapeutic Compounds 570 OPRL1, OPRK1, OPRM1 ATM 3594/4885L3MBTL1 1803/4885CYP2D6 50/4885

“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.