SCHEMBL6071333

SCHEMBL6071333

O=C(Nc1ccccc1CO)c1cccc2[nH]c3c(ccc4cn[nH]c43)c12

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NHERF1 O14745 2/20 0.41
JAK2 O60674 3/20 0.40
JAK1 P23458 3/20 0.40
HDAC3 O15379 1/20 0.40
HDAC1 Q13547 1/20 0.40
ALDH1A1 P00352 1/20 0.39
CFTR P13569 2/20 0.39
SLC16A3 O15427 1/20 0.38
KDR P35968 5/20 0.37
FLT1 P17948 2/20 0.37
PARP14 Q460N5 1/20 0.37
KIT P10721 1/20 0.37
HCAR2 Q8TDS4 1/20 0.36
NPC1 O15118 3/20 0.36
RAB9A P51151 3/20 0.36
HPGD P15428 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL6075381 0.81 NHERF1 (0.42) NHERF1HDAC3HDAC1PARP14NPC1
SCHEMBL6070656 0.80 MAPT (0.48) NHERF1JAK2JAK1ALDH1A1PARP14
SCHEMBL6071298 0.78 HDAC1 (0.47) HDAC3HDAC1ALDH1A1KDRRAB9A
SCHEMBL6071016 0.77 MAPK1 (0.44) KDRFLT1SMN1; SMN2
SCHEMBL6070641 0.77 FOXO1 (0.39) JAK2JAK1CFTRKDRKIT
SCHEMBL6070823 0.77 HDAC3 (0.42) JAK2JAK1HDAC3HDAC1KDR
SCHEMBL6070184 0.76 NPC1 (0.38) HDAC3HDAC1ALDH1A1KDRNPC1
SCHEMBL6071024 0.74 HPGD (0.50) ALDH1A1HPGDSMN1; SMN2
SCHEMBL6071459 0.74 RAD52 (0.44) HDAC3HDAC1ALDH1A1HPGD
SCHEMBL6071607 0.74 MAPK10 (0.52) NHERF1ALDH1A1KDRNPC1RAB9A

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 NHERF1 4421/4885JAK2 307/4885JAK1 93/4885

“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.