SCHEMBL12045474

SCHEMBL12045474

c1ccc2c(Nc3cc(C4CCCCC4)n[nH]3)nc(Nc3ccc4ncsc4c3)nc2c1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ NPY5R Q15761 3/20 0.49
▸ TOP2A P11388 1/20 0.49
▸ ULK1 O75385 4/20 0.48
▸ PDK1 Q15118 1/20 0.48
▸ ULK2 Q8IYT8 1/20 0.48
▸ TGFBR1 P36897 1/20 0.47
▸ PRKD1 Q15139 1/20 0.47
▸ MERTK Q12866 3/20 0.42
▸ KDR P35968 2/20 0.42
▸ SYK P43405 2/20 0.41
▸ INSR P06213 1/20 0.40
▸ CSF1R P07333 1/20 0.40
▸ PDGFRB P09619 1/20 0.40
▸ PDGFRA P16234 1/20 0.40
▸ TEK Q02763 1/20 0.40
▸ IKBKB O14920 1/20 0.40
▸ JAK3 P52333 1/20 0.40
▸ BTK Q06187 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
SCHEMBL2207615 0.96 TGFBR1 (0.49) NPY5RTOP2AULK1PDK1ULK2
SCHEMBL2203299 0.83 TGFBR1 (0.57) NPY5RTOP2ATGFBR1PRKD1KDR
SCHEMBL2204246 0.80 ULK1 (0.57) NPY5RULK1PDK1ULK2MERTK
SCHEMBL12430681 0.80 ULK1 (0.69) ULK1PDK1ULK2KDRSYK
SCHEMBL2202567 0.78 ULK1 (0.49) NPY5RULK1PDK1ULK2MERTK
SCHEMBL3767787 0.78 ULK1 (0.49) NPY5RULK1PDK1ULK2MERTK
SCHEMBL12045476 0.78 NPY5R (0.52) NPY5RULK1PDK1ULK2TGFBR1
SCHEMBL2201417 0.78 SLC2A1 (0.51) NPY5RULK1PDK1ULK2
SCHEMBL2202089 0.78 SLC2A1 (0.53) NPY5RULK1PDK1ULK2MERTK
SCHEMBL12045469 0.77 NPY5R (0.51) NPY5RULK1PDK1ULK2TGFBR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9382230-B2 Methods and compositions for modulating Ire1, SRC and ABL activity THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2016-07-05 — — US disclosed
US-20150011575-A1 METHODS AND COMPOSITIONS FOR MODULATING IRE1, SRC, AND ABL ACTIVITY THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2015-01-08 — — US disclosed
US-8815885-B2 Methods and compositions for modulating IRE1, SRC, and ABL activity THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2014-08-26 — — US disclosed
US-8815885-B2 Methods and compositions for modulating IRE1, SRC, and ABL activity THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2014-08-26 — — US disclosed
US-20110319436-A1 Methods and Compositions for Modulating IRE1, SRC, and ABL Activity THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2011-12-29 — — US disclosed
US-20110319436-A1 Methods and Compositions for Modulating IRE1, SRC, and ABL Activity THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2011-12-29 — — 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 (2 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-20150011575-A1 METHODS AND COMPOSITIONS FOR MODULATING IRE1, SRC, AND ABL ACTIVITY XBP1, SRC, HSP90B1 NPY5R 2521/4885TOP2A 3782/4885ULK1 492/4885
US-20110319436-A1 Methods and Compositions for Modulating IRE1, SRC, and ABL Activity XBP1, SRC, HSP90B1 NPY5R 2521/4885TOP2A 3782/4885ULK1 492/4885

“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.

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