SCHEMBL1662732

SCHEMBL1662732

COCCOc1cccc(CO)c1C

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDCD1 Q15116 2/20 0.43
CD274 Q9NZQ7 2/20 0.43
HTR1B P28222 1/20 0.40
L3MBTL1 Q9Y468 3/20 0.39
MAPT P10636 3/20 0.39
NPSR1 Q6W5P4 1/20 0.39
KDM4E B2RXH2 4/20 0.38
MAPK1 P28482 2/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
KMT2A Q03164 1/20 0.38
KDM1A O60341 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
ADRB2 P07550 1/20 0.36
JAK2 O60674 1/20 0.36
LMNA P02545 1/20 0.36
GAA P10253 1/20 0.36
TSHR P16473 1/20 0.36
KCNN4 O15554 1/20 0.35

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
SCHEMBL7975336 0.95 ALDH1A1 (0.44) PDCD1CD274HTR1BL3MBTL1MAPT
SCHEMBL3903483 0.84 PDCD1 (0.44) PDCD1CD274HTR1BL3MBTL1MAPT
SCHEMBL16955136 0.84 PDCD1 (0.44) PDCD1CD274HTR1BL3MBTL1MAPT
SCHEMBL19167836 0.84 KDM4E (0.50) L3MBTL1MAPTNPSR1KDM4EMAPK1
SCHEMBL7997520 0.83 HTR1B (0.50) PDCD1CD274HTR1BL3MBTL1MAPT
SCHEMBL1053518 0.83 SMN1; SMN2 (0.43) L3MBTL1MAPTNPSR1KDM4EMAPK1
SCHEMBL7997617 0.83 PDCD1 (0.43) PDCD1CD274HTR1BL3MBTL1MAPT
SCHEMBL16954536 0.81 KDM4E (0.43) L3MBTL1MAPTNPSR1KDM4EMAPK1
SCHEMBL16958644 0.81 L3MBTL1 (0.38) L3MBTL1MAPTNPSR1KDM4EMAPK1
SCHEMBL1057947 0.81 ALDH1A1 (0.43) L3MBTL1MAPTNPSR1KDM4EMAPK1

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-9242987-B2 Heterocyclyl pyrazolopyrimidine analogues as JAK inhibitors CELLZOME LIMITED (GB) 2016-01-26 US disclosed
EP-2900645-A1 3-PHENYLISOXAZOLIN DERIVATIVES WITH HERBICIDAL ACTION Bayer CropScience AG (DE) 2015-08-05 EP disclosed
US-20120252779-A1 HETEROCYCLYL PYRAZOLOPYRIMIDINE ANALOGUES AS JAK INHIBITORS CELLZOME LIMITED (GB) 2012-10-04 US disclosed
EP-2491039-A1 HETEROCYCLYL PYRAZOLOPYRIMIDINE ANALOGUES AS JAK INHIBITORS Cellzome Limited (GB) 2012-08-29 EP disclosed
WO-2011048082-A1 HETEROCYCLYL PYRAZOLOPYRIMIDINE ANALOGUES AS JAK INHIBITORS CELLZOME LIMITED (GB) 2011-04-28 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 (1 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-20120252779-A1 HETEROCYCLYL PYRAZOLOPYRIMIDINE ANALOGUES AS JAK INHIBITORS JAK1, JAK3, JAK2 PDCD1 537/4885CD274 936/4885HTR1B 3249/4885

“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.