SCHEMBL989623

SCHEMBL989623

FC1CC(OCc2ccccc2)C1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CTSL P07711 1/20 0.50
CTSB P07858 1/20 0.50
CTSK P43235 1/20 0.50
NAAA Q02083 4/20 0.46
OPRM1 P35372 2/20 0.45
OPRL1 P41146 2/20 0.45
DPP4 P27487 1/20 0.45
TSHR P16473 1/20 0.43
TMEM97 Q5BJF2 1/20 0.43
CARM1 Q86X55 1/20 0.43
PRMT6 Q96LA8 1/20 0.43
SIGMAR1 Q99720 1/20 0.43
PRMT8 Q9NR22 1/20 0.43
HRH3 Q9Y5N1 1/20 0.43
IDO1 P14902 1/20 0.40
PDPK1 O15530 1/20 0.40
MTOR P42345 1/20 0.40
SLC18A3 Q16572 1/20 0.39
CYP2C19 P33261 1/20 0.39

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
SCHEMBL11023393 1.00 CTSL (0.50) CTSLCTSBCTSKNAAAOPRM1
SCHEMBL12482253 0.86 CTSL (0.51) CTSLCTSBCTSKNAAAOPRM1
SCHEMBL20178567 0.86 CTSL (0.51) CTSLCTSBCTSKNAAAOPRM1
SCHEMBL16817674 0.82 OPRM1 (0.51) CTSLCTSBCTSKNAAAOPRM1
SCHEMBL21827205 0.81 CTSL (0.49) CTSLCTSBCTSKNAAAOPRM1
SCHEMBL10317909 0.81 CTSL (0.47) CTSLCTSBCTSKNAAAOPRM1
SCHEMBL9898051 0.80 CTSL (0.44) CTSLCTSBCTSKNAAASLC18A3
SCHEMBL9895571 0.80 CTSL (0.44) CTSLCTSBCTSKNAAASLC18A3
SCHEMBL9895570 0.80 CTSL (0.44) CTSLCTSBCTSKNAAASLC18A3
SCHEMBL24661987 0.80 CTSL (0.50) CTSLCTSBCTSKNAAAOPRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116490186-A Compounds for targeted degradation of RET C4医药公司 2023-07-25 CN disclosed
US-11034698-B2 Pyrazolo[ 1,5a]pyrimidine derivatives as IRAK4 modulators GENENTECH, INC. (US) 2021-06-15 US disclosed
US-11034698-B2 Pyrazolo[ 1,5a]pyrimidine derivatives as IRAK4 modulators GENENTECH, INC. (US) 2021-06-15 US disclosed
US-10966980-B2 Pyrrolo[2,3-d]pyrimidine derivatives PFIZER INC. (US) 2021-04-06 US disclosed
EP-3642204-A1 PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS H. Hoffnabb-La Roche Ag (CH) 2020-04-29 EP disclosed
US-20200123166-A1 PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS GENENTECH, INC. (US) 2020-04-23 US disclosed
US-20200123166-A1 PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS GENENTECH, INC. (US) 2020-04-23 US disclosed
EP-3180344-B1 PYRROLO[2,3-D]PYRIMIDINE DERIVATIVES USEFUL FOR INHIBITING JANUS KINASE PFIZER (US) 2019-09-18 EP disclosed
WO-2018234345-A1 PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2018-12-27 WO disclosed
EP-3180344-A1 PYRROLO[2,3-D]PYRIMIDINE DERIVATIVES USEFUL FOR INHIBITING JANUS KINASE Pfizer Inc (US) 2017-06-21 EP disclosed
US-20160045508-A1 PYRROLO[2,3-D]PYRIMIDINE DERIVATIVES PFIZER INC. (US) 2016-02-18 US disclosed
WO-2016024185-A1 PYRROLO[2,3-D]PYRIMIDINE DERIVATIVES USEFUL FOR INHIBITING JANUS KINASE PFIZER INC. (US) 2016-02-18 WO disclosed
EP-2454230-A1 RADIOLABELLING METHOD USING CYCLOALKYL GROUPS Bayer Pharma Aktiengesellschaft (DE) 2012-05-23 EP disclosed
WO-2011006621-A1 RADIOLABELLING METHOD USING CYCLOALKYL GROUPS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-01-20 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 (4 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-11034698-B2 Pyrazolo[ 1,5a]pyrimidine derivatives as IRAK4 modulators IRAK4, IRAK1, IRAK2 CTSL 3541/4885CTSB 4372/4885CTSK 3058/4885
US-20160045508-A1 PYRROLO[2,3-D]PYRIMIDINE DERIVATIVES JAK3, JAK1, JAK2 CTSL 2822/4885CTSB 3357/4885CTSK 2475/4885
US-10966980-B2 Pyrrolo[2,3-d]pyrimidine derivatives JAK3, JAK1, JAK2 CTSL 2822/4885CTSB 3357/4885CTSK 2475/4885
US-20200123166-A1 PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS IRAK4, IRAK1, IRAK2 CTSL 3541/4885CTSB 4372/4885CTSK 3058/4885

“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.