SCHEMBL359220

SCHEMBL359220

COc1[c]ccc(CO)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.38
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 1/20 0.34
NPC1 O15118 1/20 0.33
POLB P06746 1/20 0.33
RAB9A P51151 1/20 0.33
HSD17B10 Q99714 2/20 0.32
CYP4F2 P78329 1/20 0.32
CYP4A11 Q02928 1/20 0.32
PRKCI P41743 1/20 0.32
PDE4A P27815 1/20 0.31
PDE4B Q07343 1/20 0.31
PDE4C Q08493 1/20 0.31
PDE4D Q08499 1/20 0.31
THRB P10828 1/20 0.31
RORC P51449 1/20 0.31
ACHE P22303 1/20 0.31
ALOX15 P16050 2/20 0.31
TSHR P16473 2/20 0.31
BRAF P15056 1/20 0.31

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
SCHEMBL458330 0.82 PTGS2 (0.42)
SCHEMBL3367670 0.80 LOXL2 (0.43) TSHRENPP2
SCHEMBL1171484 0.78 CNR1 (0.37) MAPTNPC1POLBRAB9A
SCHEMBL28072612 0.78 CYP3A4 (0.40) MAPTNPC1POLBRAB9ATSHR
SCHEMBL22344568 0.78 GAA (0.50) MAPTCYP11B1CYP11B2POLBHSD17B10
SCHEMBL3363967 0.77 KDM4E (0.50) MAPTHSD17B10ALOX15TSHRRECQL
SCHEMBL931853 0.77 ALOX15 (0.39) MAPTPOLBRAB9AHSD17B10PDE4D
SCHEMBL1012044 0.76 SKP2 (0.40) MAPTNPC1RAB9AHSD17B10ALOX12
SCHEMBL8939754 0.76 LTA4H (0.48)
SCHEMBL21571185 0.76 ENPP2 (0.35) NPC1RAB9ATHRBENPP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118055930-A Thiadiazole derivative, composition and application thereof 北京丹擎医药科技有限公司 2024-05-17 CN claimed
US-20190071416-A1 COMPOUNDS FOR TREATMENT OF CANCER AND EPIGENETICS AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2019-03-07 US claimed
US-20180298026-A1 Pyrazolo[1,5a]Pyrimidine Derivatives as IRAK4 Modulators HOFFMANN-LA ROCHE INC. 2018-10-18 US claimed
EP-3371151-A1 COMPOUNDS FOR TREATMENT OF CANCER AND EPIGENETICS Agency For Science, Technology And Research (SG) 2018-09-12 EP claimed
US-10023589-B2 Pyrazolo[1,5a]pyrimidine derivatives as IRAK4 modulators HOFFMANN-LA ROCHE INC. (US) 2018-07-17 US claimed
WO-2017061957-A1 COMPOUNDS FOR TREATMENT OF CANCER AND EPIGENETICS AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2017-04-13 WO claimed
US-20160207936-A1 PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS HOFFMANN-LA ROCHE INC. 2016-07-21 US claimed
US-20140303149-A1 PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS HOFFMANN-LA ROCHE INC. (US) 2014-10-09 US claimed
EP-2593457-A1 PYRAZOLO [1, 5A]PYRIMIDINE AND THIENO [3, 2B]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS F.HOFFMANN-LA ROCHE AG (CH) 2013-05-22 EP claimed
US-20120015962-A1 PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS ARORA NIDHI (US) 2012-01-19 US claimed
WO-2012007375-A1 PYRAZOLO [1, 5A] PYRIMIDINE AND THIENO [3, 2B] PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2012-01-19 WO claimed
US-11987557-B2 Phenalene-1-one-containing photosensitizer composition, phenalene-1-one compound and the use thereof TRIOPTOTEC GMBH (DE) 2024-05-21 US disclosed
CN-118055930-A Thiadiazole derivative, composition and application thereof 北京丹擎医药科技有限公司 2024-05-17 CN disclosed
US-11186545-B2 Phenalene-1-one-containing photosensitizer composition, phenalene-1-one compound and the use thereof TRIOPTOTEC GMBH (DE) 2021-11-30 US disclosed
US-20200087259-A1 PHENALENE-1-ONE-CONTAINING PHOTOSENSITIZER COMPOSITION, PHENALENE-1-ONE COMPOUND AND THE USE THEREOF TRIOPTOTEC GMBH (DE) 2020-03-19 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
EP-2593457-A1 PYRAZOLO [1, 5A]PYRIMIDINE AND THIENO [3, 2B]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS F.HOFFMANN-LA ROCHE AG (CH) 2013-05-22 EP disclosed
US-20120015962-A1 PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS ARORA NIDHI (US) 2012-01-19 US disclosed
WO-2012007375-A1 PYRAZOLO [1, 5A] PYRIMIDINE AND THIENO [3, 2B] PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2012-01-19 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 (9 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-20190071416-A1 COMPOUNDS FOR TREATMENT OF CANCER AND EPIGENETICS SMYD3, SMYD2, EHMT1 MAPT 4633/4885CYP11B1 1813/4885CYP11B2 2131/4885
US-20160207936-A1 PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS IRAK4, IRAK1, IRAK2 MAPT 1941/4885CYP11B1 1602/4885CYP11B2 1984/4885
US-20140303149-A1 PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS IRAK4, IRAK1, IRAK2 MAPT 1941/4885CYP11B1 1602/4885CYP11B2 1984/4885
US-10023589-B2 Pyrazolo[1,5a]pyrimidine derivatives as IRAK4 modulators IRAK4, IRAK1, IRAK2 MAPT 1941/4885CYP11B1 1602/4885CYP11B2 1984/4885
US-20200087259-A1 PHENALENE-1-ONE-CONTAINING PHOTOSENSITIZER COMPOSITION, PHENALENE-1-ONE COMPOUND AND THE USE THEREOF PYCR1, CRY1, PPOX MAPT 112/4885CYP11B1 879/4885CYP11B2 1399/4885
US-11987557-B2 Phenalene-1-one-containing photosensitizer composition, phenalene-1-one compound and the use thereof PYCR1, CRY1, PPOX MAPT 112/4885CYP11B1 879/4885CYP11B2 1399/4885
US-11186545-B2 Phenalene-1-one-containing photosensitizer composition, phenalene-1-one compound and the use thereof PYCR1, CRY1, PPOX MAPT 112/4885CYP11B1 879/4885CYP11B2 1399/4885
US-20120015962-A1 PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS IRAK4, IRAK1, IRAK2 MAPT 1941/4885CYP11B1 1602/4885CYP11B2 1984/4885
US-20180298026-A1 Pyrazolo[1,5a]Pyrimidine Derivatives as IRAK4 Modulators IRAK4, IRAK1, IRAK2 MAPT 1941/4885CYP11B1 1602/4885CYP11B2 1984/4885

“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.