SCHEMBL6352964

SCHEMBL6352964

N#CCC(c1cccnc1)C(C#N)C=O.[NaH]

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.39
CFTR P13569 1/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
SLC6A3 Q01959 1/20 0.36
GOPC Q9HD26 1/20 0.36
TBXAS1 P24557 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL12251226 0.76 CYP19A1 (0.45) CYP19A1CFTRSLC6A2SLC6A4SLC6A3
SCHEMBL11283983 0.73 CYP19A1 (0.40) CYP19A1CFTRSLC6A2SLC6A4SLC6A3
SCHEMBL18896339 0.72 CYP19A1 (0.42) CYP19A1CFTRSLC6A2SLC6A4SLC6A3
SCHEMBL4174426 0.72 CYP19A1 (0.47) CYP19A1CFTRSLC6A2SLC6A4SLC6A3
SCHEMBL6344248 0.72 CYP19A1 (0.50) CYP19A1CFTRSLC6A2SLC6A4SLC6A3
Hydrochloric Acid SCHEMBL4336665 0.71 CYP19A1 (0.46) CYP19A1CFTRSLC6A2SLC6A4SLC6A3
SCHEMBL19592370 0.69 CYP19A1 (0.39) CYP19A1CFTRSLC6A2SLC6A4SLC6A3
SCHEMBL128718 0.69 CFTR (0.53) CYP19A1CFTRSLC6A2SLC6A4SLC6A3
SCHEMBL12303932 0.69 CYP19A1 (0.47) CYP19A1CFTRSLC6A2SLC6A4SLC6A3
SCHEMBL4452256 0.69 SMN1; SMN2 (0.50) CYP19A1CFTRSLC6A2SLC6A4SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6946554-B2 Process for the preparation of 9-deazaguanine derivatives BIOCRYST PHARMACEUTICALS, INC. (US) 2005-09-20 US disclosed
US-20040254181-A1 Process for the preparation of 9-deazaguanine derivatives BIOCRYST PHARMACEUTICALS, INC. 2004-12-16 US disclosed
EP-0970029-A1 PROCESS FOR THE PREPARATION OF 9-DEAZAGUANINE DERIVATIVES BIOCRYST PHARMACEUTICALS INC. (US) 2000-01-12 EP disclosed
US-5650511-A MULTISTAGE REACTION OF ALDEHYDE OR KETONE WITH NITRILE GROUP TO FORM ENAMINE, REACTION OF ENAMINE WITH BASE TO FORM PYRROLE, THEN REACTION BIOCRYST PHARMACEUTICALS, INC. (US) 1997-07-22 US disclosed
WO-1997021653-A1 PROCESS FOR THE PREPARATION OF 9-DEAZAGUANINE DERIVATIVES BIOCRYST PHARMACEUTICALS, INC. (US) 1997-06-19 WO 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-20040254181-A1 Process for the preparation of 9-deazaguanine derivatives ALKBH3, ALKBH2, ALKBH1 CYP19A1 3287/4885CFTR 3043/4885SLC6A2 4136/4885

“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.