SCHEMBL2165609

SCHEMBL2165609

COc1ccccc1CC1CCC(COc2cccc(F)c2C#N)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.40
HTR1A P08908 4/20 0.38
ADRA2A P08913 4/20 0.38
ADRA2B P18089 4/20 0.38
ADRA2C P18825 4/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
HTR2A P28223 2/20 0.37
HSD11B1 P28845 1/20 0.37
HTR1D P28221 1/20 0.36
HTR7 P34969 1/20 0.36
HTR2B P41595 1/20 0.36
HTR4 Q13639 1/20 0.36
CYP2D6 P10635 2/20 0.36
GRM2 Q14416 2/20 0.36
DCPS Q96C86 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
TSHR P16473 1/20 0.36

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
SCHEMBL2164341 0.90 RIPK1 (0.44) RIPK1HTR1AADRA2AADRA2BADRA2C
SCHEMBL2164306 0.86 HSD11B1 (0.41) RIPK1HTR1AADRA2AADRA2BADRA2C
SCHEMBL1154384 0.85 KDM4E (0.46) RIPK1HTR2AHTR2BGRM2DCPS
SCHEMBL12404096 0.83 TSHR (0.41) RIPK1L3MBTL1HTR1ALMNATSHR
SCHEMBL1154431 0.80 MCHR1 (0.45) KDM4E
SCHEMBL1154568 0.80 MCHR1 (0.45) RIPK1KDM4E
SCHEMBL30175284 0.80 MCHR1 (0.45) KDM4E
SCHEMBL1154425 0.79 MCHR1 (0.46) KDM4E
SCHEMBL23886286 0.76 CYP2D6 (0.53) HTR1AADRA2AADRA2BADRA2CCYP2D6
SCHEMBL2164263 0.76 KDM4E (0.39) L3MBTL1NPC1RAB9AGRM2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2069316-B1 2,4-DIAMINOQUINAZOLINES FOR SPINAL MUSCULAR ATROPHY FAMILIES OF SPINAL MUSCULAR ATROPHY (US) 2015-10-07 EP disclosed
EP-2615086-A1 2,4-Diaminoquinazolines for the treatment of spinal muscular atrophy Families of Spinal Muscular Atrophy (US) 2013-07-17 EP disclosed
US-7985755-B2 2,4-diaminoquinazolines for spinal muscular atrophy FAMILIES OF SPINAL MUSCULAR ATROPHY (US) 2011-07-26 US disclosed
EP-2069316-A1 2,4-DIAMINOQUINAZOLINES FOR SPINAL MUSCULAR ATROPHY Families of Spinal Muscular Atrophy (US) 2009-06-17 EP disclosed
US-20090042900-A1 2,4-DIAMINOQUINAZOLINES FOR SPINAL MUSCULAR ATROPHY DECODE CHEMISTRY, INC. (US) 2009-02-12 US disclosed
WO-2008016973-A1 2,4-DIAMINOQUINAZOLINES FOR SPINAL MUSCULAR ATROPHY FAMILIES OF SPINAL MUSCULAR ATROPHY (US) 2008-02-07 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-20090042900-A1 2,4-DIAMINOQUINAZOLINES FOR SPINAL MUSCULAR ATROPHY SMN1; SMN2, MUSK, MYT1 RIPK1 3668/4885L3MBTL1 2158/4885HTR1A 3084/4885

“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.