SCHEMBL6797609

SCHEMBL6797609

O=C1NCCCn2nc3c(c21)CCc1c-3ccnc1Cl

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.36
TGFBR1 P36897 7/20 0.33
THRB P10828 6/20 0.33
MAPK14 Q16539 6/20 0.33
CNR1 P21554 1/20 0.33
PARP10 Q53GL7 1/20 0.31
PARP11 Q9NR21 1/20 0.31
PIM1 P11309 1/20 0.30
PIM2 Q9P1W9 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
SCHEMBL6791724 0.93 CNR1 (0.34) SIGMAR1TGFBR1THRBMAPK14CNR1
SCHEMBL4260846 0.79 SIGMAR1 (0.36) SIGMAR1PARP10PARP11
SCHEMBL6792527 0.78 SIGMAR1 (0.33) SIGMAR1TGFBR1PARP10PARP11
Trifluoroacetic Acid SCHEMBL6795002 0.78 SIGMAR1 (0.34) SIGMAR1TGFBR1THRBMAPK14PARP10
SCHEMBL6794644 0.77 MAOA (0.38) SIGMAR1
SCHEMBL5228957 0.75 CCNA2 (0.42) SIGMAR1
SCHEMBL4260865 0.73 MAPKAPK2 (0.41) PARP10PARP11
SCHEMBL6794606 0.73 CCNA2 (0.40) SIGMAR1
SCHEMBL4263111 0.72 SIGMAR1 (0.32) SIGMAR1
SCHEMBL6793448 0.72 BRD4 (0.36) PIM1PIM2

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-20040127492-A1 Cyclic pyrazoles for the inhibition of mitogen activated protein kinase-activated protein kinase-2 PHARMACIA CORPORATION 2004-07-01 US claimed

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-20040127492-A1 Cyclic pyrazoles for the inhibition of mitogen activated protein kinase-activated protein kinase-2 MKNK2, MAPKAPK2, MAP3K2 SIGMAR1 4084/4885TGFBR1 4744/4885THRB 2076/4885

“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.