SCHEMBL2804309

SCHEMBL2804309

O=C(O)Nc1ccc(C#Cc2nc3ccccc3n2CCF)cn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.41
MEN1 O00255 6/20 0.38
KMT2A Q03164 6/20 0.38
TSHR P16473 4/20 0.38
CTSD P07339 1/20 0.38
HSD17B10 Q99714 3/20 0.38
HTT P42858 6/20 0.38
LMNA P02545 5/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
TDP1 Q9NUW8 3/20 0.37
L3MBTL1 Q9Y468 3/20 0.37
ALDH1A1 P00352 2/20 0.37
POLB P06746 2/20 0.37
ALOX12 P18054 1/20 0.37
CYP2C9 P11712 3/20 0.37
CYP2C19 P33261 3/20 0.37
CYP1A2 P05177 2/20 0.37
NPSR1 Q6W5P4 2/20 0.37
CYP2D6 P10635 1/20 0.37
CYP3A4 P08684 1/20 0.37

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
SCHEMBL12403193 0.86 KDM4E (0.40) KDM4ELMNASMN1; SMN2ALDH1A1POLB
SCHEMBL13189539 0.82 CYP1A2 (0.41) HTTLMNAPOLBCYP2C19CYP1A2
SCHEMBL484109 0.79 CXCR4 (0.39) KMT2AHTTPOLBCYP1A2CYP2D6
SCHEMBL27961016 0.79 KDM4E (0.36) KDM4EMEN1KMT2AHTTLMNA
SCHEMBL484238 0.78 KDM4E (0.36) KDM4EMEN1KMT2ATSHRHSD17B10
SCHEMBL12402832 0.78 LMNA (0.36) KDM4EMEN1KMT2AHSD17B10HTT
SCHEMBL12324755 0.77 GRM5 (0.41) KDM4EMEN1KMT2AHTTLMNA
SCHEMBL12324107 0.74 PIK3CA (0.43) CYP2C9CYP2C19CYP1A2CYP2D6CYP3A4
SCHEMBL12324086 0.74 APP (0.40) KDM4EMEN1KMT2AHSD17B10HTT
SCHEMBL27894583 0.72 LMNA (0.41) KDM4EMEN1KMT2AHSD17B10HTT

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-2411057-B1 IMAGING AGENTS FOR DETECTING NEUROLOGICAL DISORDERS LILLY CO ELI (US) 2020-05-06 EP disclosed
EP-2550255-B1 IMAGING AGENTS FOR DETECTING NEUROLOGICAL DISORDERS LILLY CO ELI (US) 2016-04-27 EP disclosed
US-20130302248-A1 Imaging Agents for Detecting Neurological Disorders LILLY CO ELI (US) 2013-11-14 US disclosed
US-8491869-B2 Imaging agents for detecting neurological disorders ELI LILLY AND COMPANY (US) 2013-07-23 US disclosed
WO-2010111303-A2 IMAGING AGENTS FOR DETECTING NEUROLOGICAL DISORDERS SIEMENS MEDICAL SOLUTIONS USA, INC. (US) 2010-09-30 WO disclosed
US-20100239496-A1 Imaging agents for detecting neurological disorders SIEMENS MEDICAL SOLUTIONS USA, INC. (US) 2010-09-23 US 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 (2 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-20130302248-A1 Imaging Agents for Detecting Neurological Disorders MAPT, APP, PSEN1 KDM4E 4835/4885MEN1 277/4885KMT2A 4744/4885
US-20100239496-A1 Imaging agents for detecting neurological disorders MAPT, APP, PSEN1 KDM4E 4835/4885MEN1 277/4885KMT2A 4744/4885

“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.