SCHEMBL10198725

SCHEMBL10198725

Cc1cccc2c1C(N)=NC2

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR5A P47898 9/20 0.53
TSHR P16473 1/20 0.48
CD44 P16070 1/20 0.37
HDAC8 Q9BY41 2/20 0.36
HDAC5 Q9UQL6 2/20 0.36
HDAC7 Q8WUI4 1/20 0.36
NOS2 P35228 3/20 0.35
NOS3 P29474 2/20 0.34
NOS1 P29475 1/20 0.34
ADRA2A P08913 2/20 0.34
ADRA2B P18089 2/20 0.34
ADRA2C P18825 2/20 0.34
CYP3A4 P08684 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
LMNA P02545 1/20 0.33
PAX8 Q06710 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
SCHEMBL9949264 0.78 HTR5A (0.51) HTR5ATSHRHDAC8NOS2NOS3
SCHEMBL8289934 0.78 TSHR (0.38) HTR5ATSHRNOS2NOS3NOS1
SCHEMBL3952471 0.71 HTR5A (0.38) HTR5A
SCHEMBL7938898 0.67 TSHR (0.43) HTR5ATSHRCD44CYP3A4TDP1
SCHEMBL31703623 0.67 TSHR (0.95) HTR5ATSHRNOS2NOS3ADRA2A
SCHEMBL1194687 0.67 TSHR (0.95) HTR5ATSHRNOS2NOS3ADRA2A
SCHEMBL12718599 0.67 NOS2 (0.55) HTR5ACD44HDAC8HDAC5HDAC7
Hydrochloric Acid SCHEMBL29386664 0.65 TSHR (1.00) HTR5ATSHRNOS2NOS3ADRA2A
Hydrochloric Acid SCHEMBL4092945 0.65 TSHR (1.00) HTR5ATSHRNOS2NOS3ADRA2A
SCHEMBL4021982 0.65 ACHE (0.57) TSHRCD44NOS2NOS3NOS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120077828-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC 2012-03-29 US disclosed
US-7812166-B2 Kinase inhibitors ABBOTT LABORATORIES (US) 2010-10-12 US disclosed
US-7297709-B2 Indazole, benzisoxazole, and benzisothiazole kinase inhibitors ABBOTT LABORATORIES (US) 2007-11-20 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-20120077828-A1 CHEMICAL COMPOUNDS BRCA1, IRS1, IGF1R HTR5A 498/4885TSHR 2073/4885CD44 3935/4885

“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.