SCHEMBL4815255

SCHEMBL4815255

O=C(Oc1ccccc1)c1csc(Br)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NSD2 O96028 1/20 0.51
MAPT P10636 9/20 0.48
KMT2A Q03164 6/20 0.48
ALDH1A1 P00352 4/20 0.48
MEN1 O00255 3/20 0.48
ALOX5 P09917 1/20 0.46
TDP1 Q9NUW8 4/20 0.44
PARP10 Q53GL7 1/20 0.44
PRSS1 P07477 1/20 0.43
ACR P10323 1/20 0.43
TMPRSS15 P98073 1/20 0.43
HPGD P15428 1/20 0.42
ALOX15 P16050 1/20 0.42
HSD17B10 Q99714 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
PKM P14618 1/20 0.41
MAPK1 P28482 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
KDM4E B2RXH2 1/20 0.40
LMNA P02545 1/20 0.40

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
SCHEMBL2035745 0.76 NSD2 (0.74) NSD2MAPTKMT2AALDH1A1MEN1
SCHEMBL6377804 0.75 CA2 (0.56) MAPTKMT2AALDH1A1MEN1TDP1
SCHEMBL18430409 0.75 ALOX5 (0.60) NSD2MAPTKMT2AALDH1A1MEN1
SCHEMBL70034 0.73 PARP10 (0.70) NSD2MAPTKMT2AALDH1A1MEN1
SCHEMBL31888 0.73 PARP10 (0.70) NSD2MAPTKMT2AALDH1A1MEN1
SCHEMBL1870544 0.73 PARP10 (0.70) NSD2MAPTKMT2AALDH1A1MEN1
SCHEMBL4808629 0.73 KDR (0.42) NSD2MAPTKMT2AALDH1A1MEN1
SCHEMBL105134 0.73 PARP10 (0.59) NSD2MAPTKMT2AALDH1A1MEN1
SCHEMBL4816596 0.72 KMT2A (0.59) NSD2MAPTKMT2AALDH1A1MEN1
SCHEMBL69684 0.72 NSD2 (0.63) NSD2MAPTKMT2AALDH1A1MEN1

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 8 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
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
US-7468371-B2 Tricyclic pyrazole kinase inhibitors ABBOTT LABORATORIES INC. (US) 2008-12-23 US 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 NSD2 2349/4885MAPT 2427/4885KMT2A 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.