SCHEMBL3282196

SCHEMBL3282196

N#Cc1cc(Cl)nc(N2CCC(=O)CC2)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 1/20 0.37
ALDH1A1 P00352 3/20 0.35
KMT2A Q03164 3/20 0.35
KDM4E B2RXH2 2/20 0.35
MEN1 O00255 2/20 0.35
HPGD P15428 2/20 0.35
CYP1A2 P05177 2/20 0.35
CYP2D6 P10635 1/20 0.35
MAPT P10636 1/20 0.35
PIM1 P11309 1/20 0.34
PIM2 Q9P1W9 1/20 0.34
HRH4 Q9H3N8 3/20 0.34
HRH3 Q9Y5N1 2/20 0.34
HTR1A P08908 2/20 0.33
HTR2A P28223 2/20 0.33
HTR2C P28335 2/20 0.33
PDE5A O76074 2/20 0.33
HTR3E A5X5Y0 1/20 0.33
HTR3B O95264 1/20 0.33
HTR3A P46098 1/20 0.33

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
SCHEMBL893782 0.84 EGLN2 (0.43) ALDH1A1KMT2AKDM4EMEN1HPGD
SCHEMBL29147917 0.81 ALDH1A1 (0.36) ALDH1A1KMT2AKDM4EMEN1HPGD
SCHEMBL16004860 0.80 CYP1A2 (0.56) LRRK2ALDH1A1KMT2AMEN1HPGD
SCHEMBL17893818 0.79 PIM1 (0.40) ALDH1A1KMT2AKDM4EMEN1HPGD
SCHEMBL29668658 0.78 PANK3 (0.40) ALDH1A1KMT2AKDM4EMEN1HPGD
SCHEMBL3282301 0.78 PDE4D (0.46) LRRK2ALDH1A1KMT2AKDM4EMEN1
Hydrochloric Acid SCHEMBL3282556 0.77 MEN1 (0.52) ALDH1A1KMT2AKDM4EMEN1HPGD
SCHEMBL3281121 0.74 HRH4 (0.44) HRH4HRH3PRKD1PRKD2
SCHEMBL17843264 0.74 PANK3 (0.51) LRRK2HRH3HTR7PANK3
SCHEMBL16013974 0.73 HRH3 (0.49) ALDH1A1KDM4EHPGDHRH4HRH3

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-7709503-B2 Pyrrol derivatives with antibacterial activity ASTRAZENECA AB (SE) 2010-05-04 US disclosed
EP-1664025-B1 PYRROL DERIVATIVES WITH ANTIBACTERIAL ACTIVITY ASTRAZENECA AB (SE) 2007-09-19 EP disclosed
US-20060223801-A1 Pyrrol derivatives with antibacterial activity ASTRAZENECA AB (SE) 2006-10-05 US disclosed
EP-1664025-A1 PYRROL DERIVATIVES WITH ANTIBACTERIAL ACTIVITY AstraZeneca AB (SE) 2006-06-07 EP disclosed
WO-2005026149-A1 PYRROL DERIVATIVES WITH ANTIBACTERIAL ACTIVITY ASTRAZENECA AB (SE) 2005-03-24 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-20060223801-A1 Pyrrol derivatives with antibacterial activity PEF1, PEPD, PELP1 LRRK2 1949/4885ALDH1A1 976/4885KMT2A 4730/4885

“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.