SCHEMBL358917

SCHEMBL358917

Cc1csc2cccnc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.43
HSP90AA1 P07900 2/20 0.43
NPC1 O15118 1/20 0.43
LMNA P02545 2/20 0.41
CCR1 P32246 5/20 0.40
CCR8 P51685 5/20 0.40
HTT P42858 2/20 0.40
PSMD14 O00487 2/20 0.40
COPS5 Q92905 2/20 0.40
SLC6A2 P23975 1/20 0.40
CCR5 P51681 4/20 0.39
NOS3 P29474 1/20 0.39
NOS1 P29475 1/20 0.39
NOS2 P35228 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
KDM4E B2RXH2 1/20 0.38
GMNN O75496 1/20 0.38
TP53 P04637 1/20 0.38
MMP2 P08253 1/20 0.38
CYP3A4 P08684 1/20 0.38

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
SCHEMBL544974 0.77 KDM4E (0.40) L3MBTL1HSP90AA1NPC1LMNACCR1
SCHEMBL5182523 0.75 LMNA (0.39) L3MBTL1HSP90AA1NPC1LMNACCR1
SCHEMBL31167172 0.75 LIMK1 (0.43) L3MBTL1HSP90AA1NPC1LMNACCR1
SCHEMBL9541333 0.75 METAP2 (0.45) L3MBTL1HSP90AA1NPC1LMNACCR1
SCHEMBL3970053 0.75 HSP90AA1 (0.40) L3MBTL1HSP90AA1NPC1LMNACCR1
SCHEMBL5183987 0.75 LIMK1 (0.43) L3MBTL1HSP90AA1NPC1LMNACCR1
SCHEMBL8114833 0.75 KDM4E (0.40) L3MBTL1HSP90AA1NPC1LMNACCR1
SCHEMBL13857883 0.75 PSMD14 (0.45) L3MBTL1HSP90AA1NPC1LMNACCR1
SCHEMBL22430423 0.75 HSP90AA1 (0.35) L3MBTL1HSP90AA1NPC1LMNACCR1
SCHEMBL18237974 0.75 SLC40A1 (0.38) L3MBTL1HSP90AA1NPC1LMNACCR1

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 33 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2019043372-A1 SUBSTITUTES SULFONYL AZACYCLES AS MODULATORS OF HEDGEHOG (HH) SIGNALLING PATHWAY E-THERAPEUTICS PLC (GB) 2019-03-07 WO disclosed
US-20180298026-A1 Pyrazolo[1,5a]Pyrimidine Derivatives as IRAK4 Modulators HOFFMANN-LA ROCHE INC. 2018-10-18 US disclosed
US-10023589-B2 Pyrazolo[1,5a]pyrimidine derivatives as IRAK4 modulators HOFFMANN-LA ROCHE INC. (US) 2018-07-17 US disclosed
US-10000487-B2 Heterocyclic compounds that inhibit the kinase activity of Mnk useful for treating various cancers EFFECTOR THERAPEUTICS, INC. (US) 2018-06-19 US disclosed
EP-3252054-A1 PYRAZOLO[1,5A]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS F. Hoffmann-La Roche AG (CH) 2017-12-06 EP disclosed
EP-2593457-B1 PYRAZOLO[1,5A]PYRIMIDINE AND THIENO[3,2B]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS HOFFMANN LA ROCHE (CH) 2017-08-23 EP disclosed
US-20170202970-A1 SILICON BASED DRUG CONJUGATES AND METHODS OF USING SAME BLINKBIO, INC. 2017-07-20 US disclosed
US-20160207936-A1 PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS HOFFMANN-LA ROCHE INC. 2016-07-21 US disclosed
US-9255110-B2 Pyrazolo[1,5a]pyrimidine derivatives as IRAK4 modulators ROCHE PALO ALTO LLC (US) 2016-02-09 US disclosed
US-20140303149-A1 PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS HOFFMANN-LA ROCHE INC. (US) 2014-10-09 US disclosed
US-7557103-B2 Imidazopyridazine compounds ELI LILLY AND COMPANY (US) 2009-07-07 US disclosed
US-20080153828-A1 Imidazopyridazine Compounds ELI LILLY AND COMPANY 2008-06-26 US disclosed
US-20080153828-A1 Imidazopyridazine Compounds ELI LILLY AND COMPANY 2008-06-26 US disclosed
US-20080153828-A1 Imidazopyridazine Compounds ELI LILLY AND COMPANY 2008-06-26 US disclosed
WO-2008036541-A1 THIOPHENE PYRAZOLOPYRIMIDINE COMPOUNDS ELI LILLY AND COMPANY (US) 2008-03-27 WO disclosed
EP-1879896-A1 IMIDAZOPYRIDAZINE COMPOUNDS ELI LILLY AND COMPANY (US) 2008-01-23 EP disclosed
US-20070203209-A1 Useful indole compounds IRONWOOD PHARMACEUTICALS, INC. 2007-08-30 US disclosed
WO-2007022501-A2 USEFUL INDOLE COMPOUNDS MICROBIA, INC. (US) 2007-02-22 WO disclosed
US-7166586-B2 Sulfonamide lactam inhibitors of FXa and method BRISTOL MYERS SQUIBB CO. (US) 2007-01-23 US disclosed
WO-2006107784-A1 IMIDAZOPYRIDAZINE COMPOUNDS ELI LILLY AND COMPANY (US) 2006-10-12 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 (8 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-20170202970-A1 SILICON BASED DRUG CONJUGATES AND METHODS OF USING SAME CD44, MSN, AS3MT L3MBTL1 669/4885HSP90AA1 1663/4885NPC1 577/4885
US-20160207936-A1 PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS IRAK4, IRAK1, IRAK2 L3MBTL1 1658/4885HSP90AA1 3693/4885NPC1 2973/4885
US-20140303149-A1 PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS IRAK4, IRAK1, IRAK2 L3MBTL1 1658/4885HSP90AA1 3693/4885NPC1 2973/4885
US-10023589-B2 Pyrazolo[1,5a]pyrimidine derivatives as IRAK4 modulators IRAK4, IRAK1, IRAK2 L3MBTL1 1658/4885HSP90AA1 3693/4885NPC1 2973/4885
US-20080153828-A1 Imidazopyridazine Compounds CRHR1, CRH, CRHR2 L3MBTL1 4787/4885HSP90AA1 2147/4885NPC1 905/4885
US-10000487-B2 Heterocyclic compounds that inhibit the kinase activity of Mnk useful for treating various cancers MAP3K9, MAP3K19, MAP3K20 L3MBTL1 3123/4885HSP90AA1 3799/4885NPC1 4242/4885
US-20070203209-A1 Useful indole compounds TPH2, HRH2, HRH1 L3MBTL1 4209/4885HSP90AA1 4139/4885NPC1 1470/4885
US-20180298026-A1 Pyrazolo[1,5a]Pyrimidine Derivatives as IRAK4 Modulators IRAK4, IRAK1, IRAK2 L3MBTL1 1658/4885HSP90AA1 3693/4885NPC1 2973/4885

“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.