SCHEMBL20004442

SCHEMBL20004442

CN(C)Cc1c(I)[nH]c2ncccc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MAPT P10636 3/20 0.41
CYP3A4 P08684 1/20 0.41
AURKA O14965 1/20 0.39
PARP1 P09874 1/20 0.39
CHRNB2 P17787 1/20 0.38
CHRNA4 P43681 1/20 0.38
SLC6A4 P31645 1/20 0.37
GPR84 Q9NQS5 1/20 0.36
FEN1 P39748 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
HTR6 P50406 1/20 0.35
TDP1 Q9NUW8 1/20 0.34
PDK2 Q15119 1/20 0.34
ADORA2A P29274 1/20 0.34
ADORA1 P30542 1/20 0.34
MAPK13 O15264 1/20 0.34
MAPK12 P53778 1/20 0.34

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
SCHEMBL8327650 0.84 CYP3A4 (0.56) KDM4ESMN1; SMN2MAPTCYP3A4AURKA
SCHEMBL1778446 0.81 HTR6 (0.49) KDM4ESMN1; SMN2MAPTCYP3A4AURKA
SCHEMBL16496769 0.78 KDM4E (0.42) KDM4ESMN1; SMN2MAPTCYP3A4AURKA
SCHEMBL7980631 0.77 KDM4E (0.41) KDM4ESMN1; SMN2MAPTCYP3A4AURKA
SCHEMBL21115235 0.73 AURKA (0.46) KDM4ESMN1; SMN2MAPTAURKAPARP1
SCHEMBL16464155 0.72 HTR6 (0.51) KDM4ESMN1; SMN2MEN1KMT2AHTR6
SCHEMBL4560911 0.71 AURKA (0.47) KDM4ESMN1; SMN2MAPTAURKAPARP1
SCHEMBL21397179 0.70 HTT (0.44) KDM4ESMN1; SMN2MAPTAURKAPARP1
Iodomethane SCHEMBL9399868 0.69 GPR84 (0.63) KDM4ECYP3A4SLC6A4GPR84MEN1
SCHEMBL14533462 0.68 AURKA (0.44) KDM4ESMN1; SMN2MAPTAURKAPARP1

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
US-10906900-B2 Compounds for using in imaging and particularly for the diagnosis of neurodegenerative diseases CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2021-02-02 US disclosed
US-10906900-B2 Compounds for using in imaging and particularly for the diagnosis of neurodegenerative diseases CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2021-02-02 US disclosed
EP-3515912-B1 COMPOUNDS FOR USING IN IMAGING AND PARTICULARLY FOR THE DIAGNOSIS OF NEURODEGENERATIVE DISEASES CENTRE NAT RECH SCIENT (FR) 2020-10-14 EP disclosed
US-20190211011-A1 COMPOUNDS FOR USING IN IMAGING AND PARTICULARLY FOR THE DIAGNOSIS OF NEURODEGENERATIVE DISEASES CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2019-07-11 US disclosed
US-20190211011-A1 COMPOUNDS FOR USING IN IMAGING AND PARTICULARLY FOR THE DIAGNOSIS OF NEURODEGENERATIVE DISEASES CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2019-07-11 US disclosed
WO-2018055316-A1 COMPOUNDS FOR USING IN IMAGING AND PARTICULARLY FOR THE DIAGNOSIS OF NEURODEGENERATIVE DISEASES CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2018-03-29 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 (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-10906900-B2 Compounds for using in imaging and particularly for the diagnosis of neurodegenerative diseases PSEN2, CLN6, MAPT KDM4E 4175/4885SMN1; SMN2 10/4885MAPT 3/4885
US-20190211011-A1 COMPOUNDS FOR USING IN IMAGING AND PARTICULARLY FOR THE DIAGNOSIS OF NEURODEGENERATIVE DISEASES PSEN2, SNCA, MAPT KDM4E 4303/4885SMN1; SMN2 10/4885MAPT 3/4885

“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.