SCHEMBL2831906

SCHEMBL2831906

C[C@H](Nc1nc(-n2cncn2)nc(Cl)c1-c1c(F)cc(F)cc1F)C(F)(F)F

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.36
KDM4E B2RXH2 1/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
IDH1 O75874 2/20 0.34
PDE4A P27815 5/20 0.33
ALDH1A1 P00352 2/20 0.32
HPGD P15428 2/20 0.32
GLA P06280 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
PDE10A Q9Y233 1/20 0.32
KMT2A Q03164 1/20 0.31
PDE4B Q07343 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
POLB P06746 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
SCHEMBL2831911 1.00 HSD17B10 (0.36) HSD17B10KDM4ETSHRMAPK1IDH1
SCHEMBL2833335 0.84 IDH1 (0.36) KDM4EMAPK1IDH1ALDH1A1HPGD
SCHEMBL2833339 0.84 IDH1 (0.36) KDM4EMAPK1IDH1ALDH1A1HPGD
SCHEMBL4019944 0.84 IDH1 (0.36) KDM4EMAPK1IDH1ALDH1A1HPGD
SCHEMBL2840076 0.81 CD38 (0.35) HSD17B10KDM4ETSHRMAPK1IDH1
SCHEMBL2840079 0.81 CD38 (0.35) HSD17B10KDM4ETSHRMAPK1IDH1
SCHEMBL3578633 0.75 P2RX3 (0.32) IDH1
SCHEMBL13114683 0.75 P2RX3 (0.32) IDH1
SCHEMBL14561498 0.75 IDH1 (0.31) IDH1
SCHEMBL4835877 0.74 IDH1 (0.33) IDH1ALDH1A1KMT2A

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 HSD17B10 2592/4885KDM4E 1720/4885TSHR 3080/4885

“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.