SCHEMBL21376993

SCHEMBL21376993

CCc1nc(C(C)C)cn2ccnc12

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.36
NUDT1 P36639 1/20 0.32
HCRTR1 O43613 1/20 0.31
HCRTR2 O43614 1/20 0.31
HTR4 Q13639 2/20 0.31
HTR2C P28335 1/20 0.30
TNKS O95271 1/20 0.30

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
SCHEMBL17775994 0.78 L3MBTL1 (0.39) L3MBTL1NUDT1HCRTR1HCRTR2HTR4
SCHEMBL24995375 0.78 L3MBTL1 (0.42) L3MBTL1NUDT1HCRTR1HCRTR2HTR4
SCHEMBL26937867 0.77 NUDT1 (0.50) L3MBTL1NUDT1HCRTR1HCRTR2HTR2C
SCHEMBL24529479 0.77 HTR2C (0.47) L3MBTL1NUDT1HTR2CTNKS
SCHEMBL24996533 0.74
SCHEMBL27114743 0.74 TNKS (0.36) L3MBTL1NUDT1HCRTR1HCRTR2HTR4
SCHEMBL6936541 0.73 L3MBTL1 (0.34) L3MBTL1HCRTR1HCRTR2HTR4
SCHEMBL19520117 0.73 NUDT1 (0.46) L3MBTL1NUDT1TNKS
SCHEMBL29297543 0.71 TNKS (0.33) L3MBTL1HCRTR1HCRTR2HTR4TNKS
SCHEMBL27017631 0.68 HTR4 (0.45) HTR4

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-10925876-B2 Methods for using triazolo-pyrazinyl soluble guanylate cyclase activators in fibrotic disorders MERCK SHARP & DOHME CORP. (US) 2021-02-23 US disclosed
US-20190282579-A1 METHODS FOR USING TRIAZOLO-PYRAZINYL SOLUBLE GUANYLATE CYCLASE ACTIVATORS IN FIBROTIC DISORDERS MERCK SHARP & DOHME CORP. (US) 2019-09-19 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 (2 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-20190282579-A1 METHODS FOR USING TRIAZOLO-PYRAZINYL SOLUBLE GUANYLATE CYCLASE ACTIVATORS IN FIBROTIC DISORDERS GUCY1B1, GUCY1A1, GUCY1A2 L3MBTL1 4446/4885NUDT1 1277/4885HCRTR1 3954/4885
US-10925876-B2 Methods for using triazolo-pyrazinyl soluble guanylate cyclase activators in fibrotic disorders GUCY1B1, GUCY1A1, GUCY1A2 L3MBTL1 4446/4885NUDT1 1277/4885HCRTR1 3954/4885

“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.