SCHEMBL9949264

SCHEMBL9949264

NC1=NCc2cccc(F)c21

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR5A P47898 7/20 0.51
NOS3 P29474 5/20 0.49
NOS2 P35228 5/20 0.49
TSHR P16473 1/20 0.47
BACE1 P56817 1/20 0.38
NOS1 P29475 2/20 0.36
HRH4 Q9H3N8 1/20 0.36
HDAC8 Q9BY41 2/20 0.35
DRD2 P14416 1/20 0.33
DRD3 P35462 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
SCHEMBL10198725 0.78 HTR5A (0.53) HTR5ANOS3NOS2TSHRNOS1
SCHEMBL8736593 0.68 HTR5A (0.50) HTR5ANOS3NOS2TSHRHDAC8
SCHEMBL8063228 0.66 NOS3 (1.00) NOS3NOS2NOS1
SCHEMBL31703623 0.66 TSHR (0.95) HTR5ANOS3NOS2TSHR
SCHEMBL1194687 0.66 TSHR (0.95) HTR5ANOS3NOS2TSHR
Hydrochloric Acid SCHEMBL8090639 0.65 NOS3 (0.97) NOS3NOS2NOS1
SCHEMBL8289934 0.64 TSHR (0.38) HTR5ANOS3NOS2TSHRNOS1
Hydrochloric Acid SCHEMBL4092945 0.64 TSHR (1.00) HTR5ANOS3NOS2TSHR
Hydrochloric Acid SCHEMBL29386664 0.64 TSHR (1.00) HTR5ANOS3NOS2TSHR
SCHEMBL585917 0.64 DRD2 (0.40) HTR5ANOS3NOS2DRD2DRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120165346-A1 Compounds and their use as BACE inhibitors ASTRAZENECA AB (SE) 2012-06-28 US disclosed
CN-100402499-C 2-iminopyrrolidine derivatives EISAI CO LTD (JP) 2008-07-16 CN disclosed
CN-1321996-C Process for producing 2-iminopyrrolidine derivative SANITATION STUFF R & D MANAGE (JP) 2007-06-20 CN disclosed
CN-1754880-A Process for preparing 2-iminopyrrolidine derivatives EISAI CO LTD (JP) 2006-04-05 CN disclosed
CN-1243735-C 2-iminopyrrolidine derivatives EISAI CO LTD (JP) 2006-03-01 CN disclosed
CN-1733725-A Process for preparing 2-iminopyrrolidine derivatives EISAI CO LTD (JP) 2006-02-15 CN disclosed
CN-1503784-A 2-iminopyrrolidine derivatives ������������ʽ���� 2004-06-09 CN 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-20120165346-A1 Compounds and their use as BACE inhibitors BACE1, BACE2, PSEN1 HTR5A 1033/4885NOS3 717/4885NOS2 862/4885

“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.