SCHEMBL16320446

SCHEMBL16320446

Cc1cccc(-c2cnn(C)c2C(N)=O)n1

nearest known ligand 0.50

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 17/20 0.50
PDE10A Q9Y233 2/20 0.47
CCR1 P32246 1/20 0.42
CCR8 P51685 1/20 0.42

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
SCHEMBL16003310 0.87 PDE10A (0.50) TGFBR1PDE10ACCR1CCR8
Hydrochloric Acid SCHEMBL28338149 0.86 PDE10A (0.49) TGFBR1PDE10ACCR1CCR8
SCHEMBL16003830 0.86 PDE10A (0.47) TGFBR1PDE10ACCR1CCR8
SCHEMBL16003641 0.83 PDE10A (0.48) TGFBR1PDE10ACCR1CCR8
SCHEMBL16352253 0.83 PDE10A (0.46) TGFBR1PDE10ACCR1CCR8
SCHEMBL16341782 0.81 PDE10A (0.50) TGFBR1PDE10A
SCHEMBL16320528 0.81 TGFBR1 (0.43) TGFBR1PDE10A
SCHEMBL16320863 0.79 TGFBR1 (0.47) TGFBR1PDE10A
SCHEMBL16323640 0.78 MAPT (0.37) TGFBR1
SCHEMBL16561362 0.76 PDE10A (0.47) TGFBR1PDE10A

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-8980889-B2 Pyrazole derivative MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2015-03-17 US disclosed
US-20140378448-A1 NOVEL PYRAZOLE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2014-12-25 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-20140378448-A1 NOVEL PYRAZOLE DERIVATIVE PDE10A, PDE3A, PDE5A TGFBR1 2867/4885PDE10A 1/4885CCR1 4554/4885

“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.