SCHEMBL4497174

SCHEMBL4497174

COc1nc(C)cnc1C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR4 P51679 2/20 0.37
PIK3CA P42336 4/20 0.36
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
EDNRA P25101 1/20 0.35
HTT P42858 1/20 0.33
RECQL P46063 1/20 0.33
HSP90AA1 P07900 1/20 0.32
HSP90AB1 P08238 1/20 0.32
JAK3 P52333 1/20 0.32
APOBEC3A P31941 1/20 0.31
APOBEC3G Q9HC16 1/20 0.31
NPC1 O15118 1/20 0.30
TP53 P04637 1/20 0.30
HPGD P15428 1/20 0.30
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
PDE10A Q9Y233 1/20 0.30
ALDH1A1 P00352 2/20 0.30
CYP1A2 P05177 1/20 0.30

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
SCHEMBL31538061 1.00 CCR4 (0.37) CCR4PIK3CAKMT2AMEN1EDNRA
SCHEMBL15233567 0.83 CCR4 (0.38) CCR4PIK3CAKMT2AMEN1EDNRA
SCHEMBL1487932 0.81 CCR4 (0.40) CCR4PIK3CAKMT2AMEN1EDNRA
SCHEMBL4264185 0.79 RECQL (0.40) PIK3CAKMT2AMEN1HTTRECQL
SCHEMBL5793716 0.77 CCR4 (0.35) CCR4KMT2AEDNRAHTTRECQL
SCHEMBL14970085 0.77 CCR4 (0.43) CCR4EDNRA
SCHEMBL12409948 0.77 GRM5 (0.36) KMT2AMEN1HTTRECQLNPC1
SCHEMBL20399659 0.77 CCR4 (0.35) CCR4KMT2AEDNRAHTTRECQL
SCHEMBL12767704 0.77 PIK3CA (0.41) PIK3CAKMT2AMEN1HTTRECQL
SCHEMBL91464 0.77 LMNA (0.36) CCR4PIK3CAEDNRAHTTRECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114423294-A Coffee replica made from individual components 航行食品股份有限公司 2022-04-29 CN claimed
EP-3353272-A1 PERFUME COMPOSITIONS Givaudan SA (CH) 2018-08-01 EP claimed
US-20180187123-A1 Perfume Compositions GIVAUDAN S.A. (CH) 2018-07-05 US claimed
WO-2017050971-A1 PERFUME COMPOSITIONS GIVAUDAN SA (CH) 2017-03-30 WO claimed
US-20220402917-A1 COMPOUND AS SMALL MOLECULE INHIBITOR PD-1/PD-L1 AND APPLICATION THEREOF MEDSHINE DISCOVERY INC. (CN) 2022-12-22 US disclosed
EP-4043461-A1 COMPOUND AS SMALL MOLECULE INHIBITOR PD-1/PD-L1 AND APPLICATION THEREOF Medshine Discovery Inc. (CN) 2022-08-17 EP disclosed
WO-2022166991-A1 INDOLINE COMPOUND 南京明德新药研发有限公司 2022-08-11 WO disclosed
WO-2021063404-A1 COMPOUND AS SMALL MOLECULE INHIBITOR PD-1/PD-L1 AND APPLICATION THEREOF 南京明德新药研发有限公司 2021-04-08 WO disclosed
EP-3300500-B9 TRIAZOLE AGONISTS OF THE APJ RECEPTOR AMGEN INC (US) 2021-01-13 EP disclosed
EP-3541803-B1 TRIAZOLE PYRIDYL COMPOUNDS AS AGONISTS OF THE APJ RECEPTOR AMGEN INC (US) 2020-12-23 EP disclosed
EP-3300500-B1 TRIAZOLE AGONISTS OF THE APJ RECEPTOR AMGEN INC (US) 2020-02-26 EP disclosed
EP-3353272-A1 PERFUME COMPOSITIONS Givaudan SA (CH) 2018-08-01 EP disclosed
US-20060116379-A1 Compounds exhibiting type X sPLA2 inhibiting effect OGAWA TOMOYUKI 2006-06-01 US disclosed
US-7026318-B2 Compounds exhibiting X-type sPLA2 inhibiting effect SHIONOGI & CO., LTD. (JP) 2006-04-11 US disclosed
US-6756376-B1 PREVENTING FATTY ACID RELEASE SHIONOGI & CO., LTD. (JP) 2004-06-29 US disclosed
US-20030181454-A1 Compounds exhibiting x-type spla2 inibiting effect SHIONOGI & CO., LTD. (JP) 2003-09-25 US disclosed
US-6407104-B1 Pyrrolo[1,2-a]pyrazine spla2 inhibitor SHIONOGI & CO., LTD. (JP) 2002-06-18 US disclosed
CN-1303384-A Pyrrolo [1,2-a] pyrazine sPLA2 inhibitor SHIONOGI & CO (JP) 2001-07-11 CN disclosed
EP-1066290-A1 PYRROLO[1,2-a]PYRAZINE sPLA 2 INHIBITOR SHIONOGI & CO., LTD. (JP) 2001-01-10 EP disclosed
WO-1999051605-A1 PYRROLO[1,2-a]PYRAZINE sPLA2 INHIBITOR SHIONOGI & CO., LTD. (JP) 1999-10-14 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 (3 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-20220402917-A1 COMPOUND AS SMALL MOLECULE INHIBITOR PD-1/PD-L1 AND APPLICATION THEREOF CD274, PDCD1, PDCD1LG2 CCR4 1025/4885PIK3CA 3237/4885KMT2A 840/4885
US-20030181454-A1 Compounds exhibiting x-type spla2 inibiting effect XDH, TPX2, RXFP2 CCR4 1506/4885PIK3CA 3570/4885KMT2A 1527/4885
US-20060116379-A1 Compounds exhibiting type X sPLA2 inhibiting effect XDH, PLA2G12A, CTRB2 CCR4 2459/4885PIK3CA 3793/4885KMT2A 1255/4885

“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.