SCHEMBL6071013

SCHEMBL6071013

O=C(NCCCN1CCOCC1)c1ccc2[nH]c3c(c2c1)CCc1cn[nH]c1-3

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 3/20 0.56
SHMT2 P34897 2/20 0.54
TSHR P16473 1/20 0.50
KMT2A Q03164 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
KDM4E B2RXH2 2/20 0.48
ALDH1A1 P00352 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
TLR9 Q9NR96 1/20 0.47
TLR8 Q9NR97 1/20 0.47
TLR7 Q9NYK1 1/20 0.47
NAMPT P43490 2/20 0.47
GAA P10253 1/20 0.47

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
SCHEMBL14366589 0.95 PARP1 (0.55) PARP1SHMT2TSHRKMT2ACYP2D6
Hydrochloric Acid SCHEMBL5583229 0.94 PARP1 (0.54) PARP1SHMT2TSHRKMT2ACYP2D6
SCHEMBL6071696 0.93 SHMT2 (0.54) PARP1SHMT2TSHRKMT2ACYP2D6
SCHEMBL14366588 0.90 PARP1 (0.58) PARP1SHMT2KMT2ACYP2D6
Hydrochloric Acid SCHEMBL5583244 0.89 PARP1 (0.57) PARP1SHMT2KMT2ACYP2D6
SCHEMBL6071241 0.84 MAPT (0.55) PARP1TSHRKMT2AKDM4EALDH1A1
SCHEMBL6070900 0.84 MAPK10 (0.58) PARP1TSHRKMT2AKDM4EALDH1A1
SCHEMBL6070940 0.82 MAPK10 (0.56) PARP1TSHRKMT2AKDM4EALDH1A1
SCHEMBL6071369 0.82 MAPK10 (0.60) PARP1TSHRKMT2AKDM4EALDH1A1
SCHEMBL14366582 0.82 PARP1 (0.58) PARP1KMT2ATLR9TLR8TLR7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060264493-A1 Tetracyclic pyrazole derivatives as kinase inhibitors, process for their preparation and pharmaceutical compositions comprising them PFIZER ITALIA S.R.L. (IT) 2006-11-23 US claimed
US-20060264493-A1 Tetracyclic pyrazole derivatives as kinase inhibitors, process for their preparation and pharmaceutical compositions comprising them PFIZER ITALIA S.R.L. (IT) 2006-11-23 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-20060264493-A1 Tetracyclic pyrazole derivatives as kinase inhibitors, process for their preparation and pharmaceutical compositions comprising them MAP3K1, MAP3K19, MAP3K20 PARP1 840/4885SHMT2 1517/4885TSHR 2057/4885

“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.