Fluoride

Fluoride

SCHEMBL13517648

CCNc1nc(SC)ncc1C(=O)O.F

nearest known ligand 0.52

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.52
▸ SYK P43405 2/20 0.44
▸ MEN1 O00255 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ ITGB1 P05556 1/20 0.42
▸ ITGA4 P13612 1/20 0.42
▸ MAPT P10636 2/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ FOS P01100 1/20 0.42
▸ JUN P05412 1/20 0.42
▸ NFKB1 P19838 1/20 0.42
▸ NFKB2 Q00653 1/20 0.42
▸ RELA Q04206 1/20 0.42
▸ POLB P06746 2/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ THRB P10828 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.41

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
SCHEMBL2225998 0.98 ALDH1A1 (0.53) ALDH1A1SYKMEN1KMT2AITGB1
SCHEMBL2023250 0.87 ALDH1A1 (0.57) ALDH1A1SYKMEN1KMT2AITGB1
SCHEMBL13517647 0.85 ALDH1A1 (0.52) ALDH1A1SYKMEN1KMT2AMAPT
SCHEMBL1522628 0.83 ALDH1A1 (0.48) ALDH1A1SYKMEN1KMT2AITGB1
SCHEMBL1521580 0.82 ALDH1A1 (0.76) ALDH1A1SYKMEN1KMT2AMAPT
SCHEMBL16370470 0.81 MEN1 (0.49) ALDH1A1SYKMEN1KMT2AITGB1
SCHEMBL1522370 0.81 PPARG (0.62) SMN1; SMN2THRBHTTKDM4EPPARG
SCHEMBL11168369 0.81 ALDH1A1 (0.74) ALDH1A1SYKMEN1KMT2AITGB1
SCHEMBL2799992 0.80 POLB (0.52) ALDH1A1SYKMEN1KMT2AMAPT
SCHEMBL5753943 0.79 ALDH1A1 (0.50) ALDH1A1SYKMEN1KMT2AITGB1

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-8975250-B2 5 oxo-5,8-dihydropyrido[2,3-d]pyrimidine derivatives as CaMKII kinase inhibitors for treating cardiovascular diseases SANOFI (FR) 2015-03-10 — — US disclosed
US-20120277220-A1 5 OXO-5,8-DIHYDROPYRIDO[2,3-d]PYRIMIDINE DERIVATIVES AS CAMKII KINASE INHIBITORS FOR TREATING CARDIOVASCULAR DISEASES SANOFI (FR) 2012-11-01 — — 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-20120277220-A1 5 OXO-5,8-DIHYDROPYRIDO[2,3-d]PYRIMIDINE DERIVATIVES AS CAMKII KINASE INHIBITORS FOR TREATING CARDIOVASCULAR DISEASES CAMKK1, CAMKK2, CAMK1 ALDH1A1 2432/4885SYK 460/4885MEN1 4839/4885

“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.

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