SCHEMBL4820385

SCHEMBL4820385

Cc1cccc(NC(=O)[C@H](C)Br)c1

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.61
SMN1; SMN2 Q16637 3/20 0.56
KMT2A Q03164 4/20 0.56
MEN1 O00255 3/20 0.56
RXFP1 Q9HBX9 1/20 0.56
NPC1 O15118 1/20 0.55
RAB9A P51151 1/20 0.55
CRHBP P24387 1/20 0.52
CRHR2 Q13324 1/20 0.52
KCNK3 O14649 1/20 0.51
KCNH2 Q12809 1/20 0.51
KCNK9 Q9NPC2 1/20 0.51
PKM P14618 1/20 0.51
HPGD P15428 1/20 0.51
ALDH1A1 P00352 2/20 0.50
CYP1A2 P05177 1/20 0.50
SAE1 Q9UBE0 1/20 0.50
UBA2 Q9UBT2 1/20 0.50

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
SCHEMBL4003494 1.00 HSD17B10 (0.61) HSD17B10SMN1; SMN2KMT2AMEN1RXFP1
SCHEMBL2735680 0.86 HSD17B10 (0.65) HSD17B10SMN1; SMN2KMT2AMEN1RXFP1
SCHEMBL28733079 0.85 HSD17B10 (0.59) HSD17B10SMN1; SMN2KMT2AMEN1RXFP1
SCHEMBL30729659 0.84 HSD17B10 (0.62) HSD17B10SMN1; SMN2KMT2AMEN1RXFP1
SCHEMBL20152029 0.83 HSD17B10 (0.61) HSD17B10SMN1; SMN2KMT2AMEN1RXFP1
SCHEMBL12812735 0.83 HSD17B10 (0.61) HSD17B10SMN1; SMN2KMT2AMEN1RXFP1
SCHEMBL26464127 0.83 HSD17B10 (0.61) HSD17B10SMN1; SMN2KMT2AMEN1RXFP1
SCHEMBL12755639 0.82 HSD17B10 (0.56) HSD17B10SMN1; SMN2KMT2AMEN1RXFP1
SCHEMBL16738057 0.81 POLB (0.61) HSD17B10SMN1; SMN2KMT2AMEN1NPC1
SCHEMBL7433315 0.81 MEN1 (0.61) SMN1; SMN2KMT2AMEN1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1740579-B1 TRICYCLIC PYRAZOLE KINASE INHIBITORS ABBVIE INC (US) 2015-08-19 EP disclosed
US-7468371-B2 Tricyclic pyrazole kinase inhibitors ABBOTT LABORATORIES INC. (US) 2008-12-23 US disclosed
EP-1740579-A1 TRICYCLIC PYRAZOLE KINASE INHIBITORS Abbott Laboratories (US) 2007-01-10 EP disclosed
US-20060014816-A1 Tricyclic pyrazole kinase inhibitors ABBVIE INC. 2006-01-19 US disclosed
WO-2005095387-A1 TRICYCLIC PYRAZOLE KINASE INHIBITORS ABBOTT LABORATORIES (US) 2005-10-13 WO 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-20060014816-A1 Tricyclic pyrazole kinase inhibitors PRKDC, PRKACA, PIK3C3 HSD17B10 3557/4885SMN1; SMN2 4830/4885KMT2A 1384/4885

“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.