SCHEMBL2019803

SCHEMBL2019803

Nc1ncc(F)c2c1ncn2[C@H]1C=C[C@@H](F)C1

nearest known ligand 0.61

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AHCY P23526 12/20 0.61
ADCY5 O95622 7/20 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
SCHEMBL2017002 0.85 AHCY (0.61) AHCYADCY5
SCHEMBL2017000 0.85 AHCY (0.61) AHCYADCY5
SCHEMBL13458411 0.78 AHCY (0.55) AHCY
SCHEMBL2018547 0.76 AHCY (1.00) AHCY
SCHEMBL2023510 0.75 AHCY (1.00) AHCY
SCHEMBL2026537 0.74 AHCY (0.48) AHCYADCY5
SCHEMBL2021176 0.72 AHCY (0.46) AHCYADCY5
SCHEMBL13458408 0.71 AHCY (0.64) AHCY
SCHEMBL12573442 0.70 AHCY (1.00) AHCY
SCHEMBL13457934 0.69 AHCY (0.74) AHCY

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8629275-B2 AHCY hydrolase inhibitors for treatment of hyper homocysteinemia MERCK SHARP & DOHME CORP. (US) 2014-01-14 US disclosed
US-8629275-B2 AHCY hydrolase inhibitors for treatment of hyper homocysteinemia MERCK SHARP & DOHME CORP. (US) 2014-01-14 US disclosed
US-8629275-B2 AHCY hydrolase inhibitors for treatment of hyper homocysteinemia MERCK SHARP & DOHME CORP. (US) 2014-01-14 US disclosed
US-20110160229-A1 AHCY HYDROLASE INHIBITORS FOR TREATMENT OF HYPER HOMOCYSTEINEMIA MERCK SHARP & DOHME CORP. 2011-06-30 US disclosed
US-20110160229-A1 AHCY HYDROLASE INHIBITORS FOR TREATMENT OF HYPER HOMOCYSTEINEMIA MERCK SHARP & DOHME CORP. 2011-06-30 US disclosed
US-20110160229-A1 AHCY HYDROLASE INHIBITORS FOR TREATMENT OF HYPER HOMOCYSTEINEMIA MERCK SHARP & DOHME CORP. 2011-06-30 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-20110160229-A1 AHCY HYDROLASE INHIBITORS FOR TREATMENT OF HYPER HOMOCYSTEINEMIA AHCY, AHCYL1, BHMT AHCY 1/4885ADCY5 82/4885

“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.