SCHEMBL10033652

SCHEMBL10033652

Cc1c(C(C)(C)C)sc2cccnc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
NPC1 O15118 1/20 0.42
LIMK1 P53667 2/20 0.39
CLK1 P49759 1/20 0.39
CCR1 P32246 4/20 0.33
CCR8 P51685 4/20 0.33
LMNA P02545 3/20 0.33
CCR5 P51681 3/20 0.33
HTT P42858 2/20 0.33
KDM4E B2RXH2 2/20 0.33
MAPT P10636 2/20 0.33
GMNN O75496 1/20 0.33
TP53 P04637 1/20 0.33
MMP2 P08253 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
MMP9 P14780 1/20 0.33
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33

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
SCHEMBL24132302 0.82 LIMK1 (0.39) HSP90AA1L3MBTL1NPC1LIMK1CLK1
SCHEMBL13526940 0.78 LIMK1 (0.36) HSP90AA1L3MBTL1NPC1LIMK1CLK1
SCHEMBL13763321 0.77 HSP90AA1 (0.48) HSP90AA1L3MBTL1NPC1LIMK1CLK1
SCHEMBL19699885 0.74 LIMK1 (0.49) HSP90AA1L3MBTL1NPC1LIMK1CLK1
SCHEMBL24595805 0.71 NPC1 (0.42) HSP90AA1L3MBTL1NPC1LIMK1CLK1
SCHEMBL10054253 0.71 LIMK1 (0.57) HSP90AA1L3MBTL1NPC1LIMK1CLK1
SCHEMBL20989724 0.70 LIMK1 (0.45) HSP90AA1L3MBTL1NPC1LIMK1CLK1
SCHEMBL720703 0.70 HSP90AA1 (0.41) HSP90AA1L3MBTL1NPC1LIMK1CLK1
SCHEMBL8279309 0.69 GPR3 (0.46) NPC1LMNAKDM4EMAPTTP53
SCHEMBL20041730 0.69 NPC1 (0.37) HSP90AA1L3MBTL1NPC1LIMK1CLK1

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
US-20220213131-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2022-07-07 US disclosed
US-8110580-B2 Thiophene pyrazolopyrimidine compounds ELI LILLY AND COMPANY (US) 2012-02-07 US disclosed
US-8110580-B2 Thiophene pyrazolopyrimidine compounds ELI LILLY AND COMPANY (US) 2012-02-07 US disclosed
US-20100022560-A1 THIOPHENE PYRAZOLOPYRIMIDINE COMPOUNDS CHEN ZHAOGEN 2010-01-28 US disclosed
US-20100022560-A1 THIOPHENE PYRAZOLOPYRIMIDINE COMPOUNDS CHEN ZHAOGEN 2010-01-28 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-20100022560-A1 THIOPHENE PYRAZOLOPYRIMIDINE COMPOUNDS CRH, CRHR1, CRHR2 HSP90AA1 1931/4885L3MBTL1 4751/4885NPC1 506/4885
US-20220213131-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES OCIAD1, LOXL1, OCIAD2 HSP90AA1 4516/4885L3MBTL1 1555/4885NPC1 747/4885

“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.