SCHEMBL5268843

SCHEMBL5268843

COC(=O)c1cc(-c2cscn2)n(-c2ccc(Cl)nn2)n1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
SLC16A3 O15427 1/20 0.35
SLC16A1 P53985 1/20 0.35
MCTS1 Q9ULC4 1/20 0.35
RXRA P19793 1/20 0.35
NR1H2 P55055 1/20 0.35
NR1H3 Q13133 1/20 0.35
ALOX5 P09917 1/20 0.35
PTGS2 P35354 1/20 0.34
RAB9A P51151 1/20 0.33
ECE1 P42892 1/20 0.33
APP P05067 1/20 0.33
MAPT P10636 1/20 0.33
ALDH1A1 P00352 2/20 0.32
P2RX7 Q99572 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C19 P33261 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
SCHEMBL5273998 0.89 ALDH1A1 (0.35) SMN1; SMN2SLC16A3SLC16A1MCTS1RXRA
SCHEMBL2917351 0.83 SLC16A3 (0.40) SMN1; SMN2MEN1KMT2ASLC16A3SLC16A1
SCHEMBL5269426 0.82 SMN1; SMN2 (0.38) SMN1; SMN2MEN1KMT2ARXRANR1H2
SCHEMBL5266028 0.82 RAB9A (0.39) SMN1; SMN2MEN1KMT2ARXRANR1H2
SCHEMBL5522528 0.82 ALOX5 (0.40) SMN1; SMN2MEN1KMT2ARXRANR1H2
SCHEMBL5527972 0.80 ALOX5 (0.37) SMN1; SMN2MEN1KMT2AALOX5RAB9A
SCHEMBL5266014 0.79 EGLN2 (0.39) SMN1; SMN2MEN1KMT2AALOX5P2RX7
SCHEMBL5266306 0.79 ECE1 (0.43) SLC16A3SLC16A1MCTS1ECE1ALDH1A1
SCHEMBL5269292 0.77 SMN1; SMN2 (0.44) SMN1; SMN2MEN1KMT2AALOX5PTGS2
SCHEMBL5269328 0.77 SMN1; SMN2 (0.43) SMN1; SMN2MEN1KMT2ARXRANR1H2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070254881-A1 Pyrazole Derivative DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-11-01 US disclosed
CN-101001852-A Pyrazole derivatives DAIICHI SEIYAKU CO (JP) 2007-07-18 CN disclosed
EP-1785418-A1 PYRAZOLE DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-05-16 EP 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-20070254881-A1 Pyrazole Derivative PTGER1, PTGS1, PTGER2 SMN1; SMN2 3490/4885MEN1 3587/4885KMT2A 3446/4885

“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.