SCHEMBL115144

SCHEMBL115144

Cc1nc2c(s1)c(O)c(-c1ccccc1C)c(=O)n2CC(F)F

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CASR P41180 11/20 0.38
NR1I2 O75469 5/20 0.35
JAK2 O60674 1/20 0.32
JAK1 P23458 1/20 0.32
TYK2 P29597 1/20 0.32
JAK3 P52333 1/20 0.32
ELANE P08246 1/20 0.32
HEXA P06865 1/20 0.31
HEXB P07686 1/20 0.31
GNRHR P30968 1/20 0.31
BRD4 O60885 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
SCHEMBL115292 0.88 CASR (0.36) CASRNR1I2GNRHR
SCHEMBL115161 0.88 HEXA (0.36) CASRNR1I2HEXAHEXB
SCHEMBL115975 0.87 CASR (0.34) CASRNR1I2HEXAHEXB
SCHEMBL115168 0.87 CASR (0.34) CASRNR1I2
SCHEMBL115166 0.86 CASR (0.35) CASRNR1I2HEXAHEXB
SCHEMBL115127 0.86 PDE4B (0.38) CASRHEXAHEXB
SCHEMBL113811 0.86 CASR (0.35) CASRNR1I2
SCHEMBL113809 0.86 P2RX3 (0.34) CASRNR1I2
SCHEMBL116138 0.83 PDE5A (0.36) CASRNR1I2GNRHR
SCHEMBL115300 0.82 ADORA3 (0.34) CASR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120058893-A1 HERBICIDALLY ACTIVE KETOSULTAMS AND DIKETOPYRIDINES BAYER CROPSCIENCE AG (DE) 2012-03-08 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-20120058893-A1 HERBICIDALLY ACTIVE KETOSULTAMS AND DIKETOPYRIDINES KHK, KCNA1, KCNA2 CASR 4298/4885NR1I2 2192/4885JAK2 2981/4885

“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.