SCHEMBL1551962

SCHEMBL1551962

Cc1nc2nc(Cl)ncc2[nH]1

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.46
TYRO3 Q06418 1/20 0.43
DYRK1B Q9Y463 1/20 0.43
ALDH1A1 P00352 3/20 0.39
HTT P42858 1/20 0.39
AURKA O14965 1/20 0.30
KIF11 P52732 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
SCHEMBL7618865 0.81 SMN1; SMN2 (0.50) KDM4ESMN1; SMN2ALDH1A1HTT
SCHEMBL539008 0.79 KDM4E (0.53) KDM4ETYRO3DYRK1BHTT
SCHEMBL3861922 0.76 SMN1; SMN2 (0.46) SMN1; SMN2ALDH1A1HTT
SCHEMBL15718879 0.76 KDM4E (0.50) KDM4ETYRO3DYRK1B
SCHEMBL3963582 0.76 KDM4E (0.50) KDM4ETYRO3DYRK1BALDH1A1
SCHEMBL369014 0.76 KDM4E (0.50) KDM4ESMN1; SMN2TYRO3DYRK1B
SCHEMBL8447336 0.76 ALDH1A1 (0.50) KDM4ESMN1; SMN2ALDH1A1
SCHEMBL15571871 0.76 KDM4E (0.46) KDM4ESMN1; SMN2TYRO3DYRK1BALDH1A1
SCHEMBL31624045 0.74 TYRO3 (0.46) KDM4ESMN1; SMN2TYRO3DYRK1BALDH1A1
SCHEMBL18757838 0.73 SMN1; SMN2 (0.43) SMN1; SMN2ALDH1A1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110251172-A1 PURINE DERIVATIVES FOR TREATMENT OF ALZHEIMER'S DISEASE MERCK SHARP & DOHME CORP. 2011-10-13 US disclosed
EP-2312945-A1 PURINE DERIVATIVES FOR TREATMENT OF ALZHEIMER'S DISEASE Merck Sharp & Dohme Corp. (US) 2011-04-27 EP disclosed
WO-2010019392-A1 PURINE DERIVATIVES FOR TREATMENT OF ALZHEIMER'S DISEASE MERCK SHARP & DOHME CORP. (US) 2010-02-18 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-20110251172-A1 PURINE DERIVATIVES FOR TREATMENT OF ALZHEIMER'S DISEASE BACE1, APP, PSEN1 KDM4E 2853/4885SMN1; SMN2 962/4885TYRO3 4261/4885

“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.