SCHEMBL3354049

SCHEMBL3354049

O=C1[C]CNc2ccccc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.38
MAOB P27338 2/20 0.38
LRRK2 Q5S007 2/20 0.38
DYRK1B Q9Y463 2/20 0.38
PDGFRA P16234 1/20 0.38
FER P16591 1/20 0.38
LTK P29376 1/20 0.38
CDK8 P49336 1/20 0.38
ACVR1 Q04771 1/20 0.38
NOS2 P35228 1/20 0.37
CA12 O43570 1/20 0.36
CA9 Q16790 1/20 0.36
TLK2 Q86UE8 1/20 0.35
GSK3B P49841 1/20 0.34
PDE7A Q13946 1/20 0.34
PDE7B Q9NP56 1/20 0.34
PDPK1 O15530 1/20 0.34
PARP1 P09874 1/20 0.34
PARP10 Q53GL7 1/20 0.34
PARP11 Q9NR21 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
SCHEMBL21385505 0.73 NOS2 (0.42) MAOAMAOBLRRK2DYRK1BPDGFRA
SCHEMBL313033 0.69
SCHEMBL1551702 0.67 MAOA (0.41) MAOAMAOBLRRK2DYRK1BPDGFRA
SCHEMBL68595 0.67 CA12 (0.45) MAOAMAOBLRRK2DYRK1BPDGFRA
SCHEMBL1450780 0.67 CA12 (0.45) MAOAMAOBLRRK2DYRK1BPDGFRA
SCHEMBL29380714 0.65 LRRK2 (0.50) MAOAMAOBLRRK2DYRK1BPDGFRA
SCHEMBL106149 0.65 LRRK2 (0.50) MAOAMAOBLRRK2DYRK1BPDGFRA
Hydrochloric Acid SCHEMBL10863156 0.65 CA12 (0.43) MAOAMAOBLRRK2DYRK1BPDGFRA
Hydrochloric Acid SCHEMBL2034214 0.65 CA12 (0.43) MAOAMAOBLRRK2DYRK1BPDGFRA
SCHEMBL700485 0.65 PARP10 (0.55) MAOAMAOBLRRK2DYRK1BPDGFRA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7696195-B2 Selected CGRP-antagonists, process for preparing them and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-13 US disclosed
US-20050256099-A1 Selected CGRP-antagonists, process for preparing them and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-11-17 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-20050256099-A1 Selected CGRP-antagonists, process for preparing them and their use as pharmaceutical compositions CALCRL, CALCR, CALCA MAOA 661/4885MAOB 604/4885LRRK2 1964/4885

“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.