SCHEMBL6500206

SCHEMBL6500206

c1ccc2c(c1)Nc1ccccc1-c1[nH]ccc1-2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 3/20 0.45
LTK P29376 2/20 0.45
DYRK1B Q9Y463 2/20 0.45
ACVR1 Q04771 2/20 0.45
PDGFRA P16234 1/20 0.45
FER P16591 1/20 0.45
CDK8 P49336 1/20 0.45
MAOA P21397 2/20 0.40
MAOB P27338 1/20 0.40
KDR P35968 3/20 0.36
CDK5 Q00535 3/20 0.36
RET P07949 2/20 0.36
PDGFRB P09619 2/20 0.36
FLT3 P36888 2/20 0.36
JAK3 P52333 2/20 0.36
CHEK1 O14757 2/20 0.36
TLK2 Q86UE8 2/20 0.36
AKT1 P31749 2/20 0.36
SYK P43405 1/20 0.36
ATM Q13315 1/20 0.36

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
SCHEMBL20011699 0.81 LRRK2 (0.36) LRRK2LTKDYRK1BACVR1PDGFRA
SCHEMBL9324260 0.78 IDO1 (0.39) MAOAATMMAP2K1MAPTGSK3B
SCHEMBL17816635 0.77 LRRK2 (0.59) LRRK2LTKDYRK1BACVR1PDGFRA
SCHEMBL181764 0.77 LRRK2 (0.59) LRRK2LTKDYRK1BACVR1PDGFRA
SCHEMBL30462618 0.77 LRRK2 (0.59) LRRK2LTKDYRK1BACVR1PDGFRA
SCHEMBL8962457 0.68 ALDH1A1 (0.44) FYNMAPTCYP1A2POLBCYP3A4
SCHEMBL2427994 0.67 LRRK2 (0.64) LRRK2LTKDYRK1BACVR1PDGFRA
SCHEMBL29268797 0.67 ACVR1 (0.48) LRRK2LTKDYRK1BACVR1PDGFRA
SCHEMBL29268818 0.67 ACVR1 (0.48) LRRK2LTKDYRK1BACVR1PDGFRA
SCHEMBL22269745 0.67 MAPK8 (0.50) LRRK2LTKDYRK1BPDGFRACDK8

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050209191-A1 1-Aza-dibenzoazulenes as inhibitors of tumour necrosis factor production and intermediates for the preparation thereof PLIVA-ISTRAZIVACKI INSTITUT D.O.O. (HR) 2005-09-22 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 (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-20050209191-A1 1-Aza-dibenzoazulenes as inhibitors of tumour necrosis factor production and intermediates for the preparation thereof TNF, IL1A, IL1B LRRK2 4560/4885LTK 1146/4885DYRK1B 3279/4885

“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.