SCHEMBL15313297

SCHEMBL15313297

CC(Nc1nc(N)nc(-c2ccn(C(C)(N)C(=O)O)n2)n1)c1ccc2ccccc2c1

nearest known ligand 0.67

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TPH1 P17752 17/20 0.67
IDH1 O75874 2/20 0.38
P2RX3 P56373 1/20 0.37

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
SCHEMBL309189 0.80 TPH1 (1.00) TPH1
SCHEMBL309188 0.80 TPH1 (1.00) TPH1
SCHEMBL320652 0.80 TPH1 (1.00) TPH1
SCHEMBL12694100 0.70 TPH1 (0.78) TPH1
SCHEMBL14969125 0.70 TPH1 (1.00) TPH1
SCHEMBL14969126 0.70 TPH1 (1.00) TPH1
SCHEMBL3408238 0.70 TPH1 (1.00) TPH1
SCHEMBL308510 0.70 TPH1 (1.00) TPH1
SCHEMBL308509 0.70 TPH1 (1.00) TPH1
SCHEMBL320797 0.69 TPH1 (0.69) TPH1

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-20130274261-A1 METHODS FOR TREATING PULMONARY HYPERTENSION LEXICON PHARMACEUTICALS, INC. 2013-10-17 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-20130274261-A1 METHODS FOR TREATING PULMONARY HYPERTENSION TPH1, TPH2, PTGIS TPH1 1/4885IDH1 723/4885P2RX3 1257/4885

“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.