SCHEMBL4278345

SCHEMBL4278345

NC1=NC(N)(c2ccc(C(F)(F)F)cc2)C=CN1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.37
MAOB P27338 2/20 0.37
KDM1A O60341 1/20 0.37
KIF11 P52732 2/20 0.34
SLC6A3 Q01959 1/20 0.33
CYP1A2 P05177 1/20 0.33
OPRM1 P35372 1/20 0.33
OPRL1 P41146 1/20 0.33
PIM1 P11309 1/20 0.33
PIM2 Q9P1W9 1/20 0.33
AHR P35869 1/20 0.33
PTGS1 P23219 1/20 0.33
ITGA4 P13612 1/20 0.32
ITGB7 P26010 1/20 0.32
FBP1 P09467 1/20 0.32
NQO2 P16083 1/20 0.32
NOS3 P29474 1/20 0.32
NOS2 P35228 1/20 0.32

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
SCHEMBL3462555 0.60 KIF11 (0.64) MAOAMAOBKIF11CYP1A2AHR
SCHEMBL2699431 0.60 MAOA (0.53) MAOAMAOBKDM1AKIF11SLC6A3
SCHEMBL9405583 0.60 KIF11 (0.64) MAOAMAOBKIF11CYP1A2AHR
SCHEMBL22931544 0.60 AHR (0.68) CYP1A2AHRPTGS1FBP1NQO2
SCHEMBL13790263 0.60 AHR (0.68) CYP1A2AHRPTGS1FBP1NQO2
SCHEMBL13790273 0.60 AHR (0.68) CYP1A2AHRPTGS1FBP1NQO2
SCHEMBL5751953 0.59 CYP1A2 (0.57) MAOAMAOBKIF11CYP1A2AHR
Hydrochloric Acid SCHEMBL18343677 0.59 MAOA (0.52) MAOAMAOBKDM1ASLC6A3OPRM1
SCHEMBL63468 0.59 ALDH1A1 (0.67) KIF11
SCHEMBL29507308 0.58 AHR (0.65) CYP1A2AHRPTGS1FBP1NQO2

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-7419984-B2 Pyrimidines and uses thereof CELL THERAPEUTICS, INC. (US) 2008-09-02 US claimed
US-20090099183-A1 PYRIMIDINES AND USES THEREOF CELL THERAPEUTICS, INC. (US) 2009-04-16 US disclosed
US-7419984-B2 Pyrimidines and uses thereof CELL THERAPEUTICS, INC. (US) 2008-09-02 US disclosed
US-20040204386-A1 Pyrimidines and uses thereof CELL THERAPEUTICS, INC. 2004-10-14 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-20040204386-A1 Pyrimidines and uses thereof LPCAT3, LPCAT1, APRT MAOA 1717/4885MAOB 1532/4885KDM1A 2284/4885
US-20090099183-A1 PYRIMIDINES AND USES THEREOF LPCAT3, LPCAT1, APRT MAOA 1891/4885MAOB 1354/4885KDM1A 2402/4885

“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.