SCHEMBL369014

SCHEMBL369014

Clc1ncc2[nH]c(Br)nc2n1

nearest known ligand 0.50

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.50
TYRO3 Q06418 1/20 0.43
DYRK1B Q9Y463 1/20 0.43
ADORA2A P29274 1/20 0.35
ADORA1 P30542 1/20 0.35
SMN1; SMN2 Q16637 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
SCHEMBL539008 0.79 KDM4E (0.53) KDM4ETYRO3DYRK1B
SCHEMBL3963582 0.76 KDM4E (0.50) KDM4ETYRO3DYRK1B
SCHEMBL15718879 0.76 KDM4E (0.50) KDM4ETYRO3DYRK1B
SCHEMBL2934833 0.76 ALDH1A1 (0.50) ADORA2AADORA1SMN1; SMN2
SCHEMBL1551962 0.76 KDM4E (0.50) KDM4ETYRO3DYRK1BSMN1; SMN2
SCHEMBL15571871 0.72 KDM4E (0.46) KDM4ETYRO3DYRK1BSMN1; SMN2
SCHEMBL15570735 0.69 KDM4E (0.43) KDM4ETYRO3DYRK1B
SCHEMBL357005 0.67 KDM4E (1.00) KDM4ETYRO3DYRK1BSMN1; SMN2
SCHEMBL4672152 0.65 KDM4E (0.52) KDM4ETYRO3DYRK1B
Hydrochloric Acid SCHEMBL4982885 0.65 KDM4E (0.96) KDM4ETYRO3DYRK1BSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103003279-B Purine compounds selective for PI3K P110 and methods of use thereof F. HOFFMANN-LA ROCHE AG (CH) 2015-09-23 CN disclosed
EP-2593455-B1 PURINE COMPOUNDS SELECTIVE FOR I3 P110 DELTA, AND METHODS OF USE HOFFMANN LA ROCHE (CH) 2015-03-18 EP disclosed
EP-2593455-A1 PURINE COMPOUNDS SELECTIVE FOR I3 P110 DELTA, AND METHODS OF USE F.HOFFMANN-LA ROCHE AG (CH) 2013-05-22 EP disclosed
CN-103003279-A Purine compounds selective for PI3K P110 delta and methods of use thereof HOFFMANN LA ROCHE 2013-03-27 CN disclosed
US-8293736-B2 Purine compounds selective for PI3K P110 delta, and methods of use F. HOFFMANN LA ROCHE AG (CH) 2012-10-23 US disclosed
US-20120015931-A1 PURINE COMPOUNDS SELECTIVE FOR PI3K P110 DELTA, AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2012-01-19 US disclosed
WO-2012007493-A1 PURINE COMPOUNDS SELECTIVE FOR ΡI3Κ P110 DELTA, AND METHODS OF USE 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 (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-20120015931-A1 PURINE COMPOUNDS SELECTIVE FOR PI3K P110 DELTA, AND METHODS OF USE PIK3CA, PIK3CD, PIK3CG KDM4E 3949/4885TYRO3 666/4885DYRK1B 1508/4885

“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.