SCHEMBL2164306

SCHEMBL2164306

N#Cc1c(F)cccc1OCC1CCC(Cc2ccccc2Cl)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 5/20 0.41
RIPK1 Q13546 1/20 0.40
DCPS Q96C86 4/20 0.39
CASR P41180 1/20 0.37
CYP2D6 P10635 2/20 0.36
KDM4E B2RXH2 1/20 0.36
HTR1A P08908 1/20 0.36
ADRA2A P08913 1/20 0.36
ADRA2B P18089 1/20 0.36
ADRA2C P18825 1/20 0.36
KCNN4 O15554 1/20 0.35
GRM2 Q14416 1/20 0.35
P2RX7 Q99572 1/20 0.35
FAAH O00519 2/20 0.35
MEN1 O00255 1/20 0.35
TP53 P04637 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
RECQL P46063 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
SCHEMBL2164341 0.90 RIPK1 (0.44) RIPK1DCPSCYP2D6KDM4EHTR1A
SCHEMBL2165609 0.86 RIPK1 (0.43) HSD11B1RIPK1DCPSCYP2D6KDM4E
SCHEMBL1154384 0.85 KDM4E (0.46) RIPK1DCPSKDM4EKCNN4GRM2
SCHEMBL12404096 0.83 TSHR (0.41) RIPK1KDM4EHTR1AKCNN4MEN1
SCHEMBL2164276 0.81 DCPS (0.53) DCPSCYP2D6KDM4EKCNN4GRM2
SCHEMBL2164263 0.81 KDM4E (0.39) KDM4EGRM2
SCHEMBL1154503 0.80 HSD11B1 (0.50) HSD11B1HTR1ATP53
SCHEMBL1154568 0.80 MCHR1 (0.45) RIPK1KDM4EKCNN4
SCHEMBL30175284 0.80 MCHR1 (0.45) KDM4EKCNN4
SCHEMBL1154431 0.80 MCHR1 (0.45) KDM4EKCNN4

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 HSD11B1 3965/4885RIPK1 3668/4885DCPS 1366/4885

“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.