SCHEMBL2840079

SCHEMBL2840079

CC(Nc1nc(-n2ccnc2)nc(Cl)c1-c1c(F)cc(F)cc1F)C(F)(F)F

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CD38 P28907 11/20 0.35
TSHR P16473 2/20 0.34
NPC1 O15118 1/20 0.34
HSD17B10 Q99714 1/20 0.34
CYP1A2 P05177 4/20 0.33
PDE5A O76074 2/20 0.33
CYP2C19 P33261 1/20 0.33
IDH1 O75874 2/20 0.33
MAPK1 P28482 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
KMT2A Q03164 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
NOS3 P29474 1/20 0.31
NOS1 P29475 1/20 0.31
NOS2 P35228 1/20 0.31

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
SCHEMBL2840076 1.00 CD38 (0.35) CD38TSHRNPC1HSD17B10CYP1A2
SCHEMBL2833339 0.82 IDH1 (0.36) IDH1MAPK1KDM4EALDH1A1
SCHEMBL4019944 0.82 IDH1 (0.36) IDH1MAPK1KDM4EALDH1A1
SCHEMBL2833335 0.82 IDH1 (0.36) IDH1MAPK1KDM4EALDH1A1
SCHEMBL2831911 0.81 HSD17B10 (0.36) TSHRHSD17B10IDH1MAPK1KDM4E
SCHEMBL2831906 0.81 HSD17B10 (0.36) TSHRHSD17B10IDH1MAPK1KDM4E
SCHEMBL4020943 0.81 PDE5A (0.39) CD38CYP1A2PDE5ACYP2C19NOS3
SCHEMBL4019938 0.80 CD38 (0.41) CD38TSHRCYP1A2PDE5ACYP2C19
SCHEMBL4022005 0.75 LATS1 (0.38) NPC1IDH1
SCHEMBL4021324 0.75 LATS1 (0.38) NPC1IDH1

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-7709637-B2 5-phenylpyrimidines, their preparation, intermediates for their preparation, and their use for controlling harmful fungi BASF SE (DE) 2010-05-04 US disclosed
US-20070088026-A1 5-phenylpyrimidines, their preparation, intermediates for their preparation, and their use for controlling harmful fungi METAVANTE CORPORATION 2007-04-19 US disclosed
US-7153860-B2 5-Phenylpyrimidines, methods and intermediate products for the production thereof and use of the same for controlling pathogenic fungi BASF AKTIENGESELLSCHAFT (DE) 2006-12-26 US disclosed
US-20040116429-A1 5-Phenylpyrimidines, methods and intermediate products for the production thereof and use of the same for controlling pathogenic fungi BASF SE (DE) 2004-06-17 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 (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-20070088026-A1 5-phenylpyrimidines, their preparation, intermediates for their preparation, and their use for controlling harmful fungi DPYD, CBR3, RNGTT CD38 1083/4885TSHR 3080/4885NPC1 3935/4885

“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.