SCHEMBL19995035

SCHEMBL19995035

C#Cc1ccc(-n2cccn2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.58
KDM4E B2RXH2 3/20 0.53
ALDH1A1 P00352 3/20 0.53
MAPK1 P28482 2/20 0.53
CHRNA7 P36544 1/20 0.42
CHRNA10 Q9GZZ6 1/20 0.42
CHRNA9 Q9UGM1 1/20 0.42
DRD2 P14416 1/20 0.41
DRD4 P21917 1/20 0.41
DRD3 P35462 1/20 0.41
HDAC8 Q9BY41 1/20 0.40
MAPT P10636 3/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
HDAC4 P56524 1/20 0.39
CHRM1 P11229 1/20 0.38
POLB P06746 1/20 0.38
LMNA P02545 1/20 0.37
GAA P10253 1/20 0.37
G6PD P11413 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
SCHEMBL4341894 0.83 NOTUM (0.78) NOTUMKDM4EALDH1A1MAPK1CHRNA7
SCHEMBL98458 0.81 NOTUM (0.58) NOTUMKDM4EALDH1A1MAPK1CHRNA7
SCHEMBL44890 0.81 NOTUM (0.58) NOTUMKDM4EALDH1A1MAPK1CHRNA7
SCHEMBL27822298 0.80 NOTUM (0.44) NOTUMKDM4EALDH1A1MAPK1DRD2
SCHEMBL6854286 0.78 NOTUM (0.55) NOTUMKDM4EALDH1A1MAPK1CHRNA7
SCHEMBL16538681 0.78 NOTUM (0.64) NOTUMKDM4EALDH1A1MAPK1CHRNA7
SCHEMBL6851900 0.78 KDM4E (0.58) NOTUMKDM4EALDH1A1MAPK1CHRNA7
SCHEMBL6852136 0.78 NOTUM (0.50) NOTUMKDM4EALDH1A1MAPK1CHRNA7
SCHEMBL173885 0.75 NOTUM (0.67) NOTUMKDM4EALDH1A1MAPK1CHRNA7
SCHEMBL30811674 0.75 KDM4E (0.44) NOTUMKDM4EALDH1A1MAPK1HDAC8

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 5 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
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
EP-3515912-A1 COMPOUNDS FOR USING IN IMAGING AND PARTICULARLY FOR THE DIAGNOSIS OF NEURODEGENERATIVE DISEASES Centre National De La Recherche Scientifique (FR) 2019-07-31 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
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 NOTUM 3247/4885KDM4E 4175/4885ALDH1A1 1121/4885
US-20190211011-A1 COMPOUNDS FOR USING IN IMAGING AND PARTICULARLY FOR THE DIAGNOSIS OF NEURODEGENERATIVE DISEASES PSEN2, SNCA, MAPT NOTUM 3560/4885KDM4E 4303/4885ALDH1A1 1382/4885

“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.