SCHEMBL12677348

SCHEMBL12677348

Cn1ncc2c(=O)[nH]c(N)cc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.44
DDB1 Q16531 1/20 0.36
CRBN Q96SW2 1/20 0.36
FGFR1 P11362 1/20 0.36
FLT1 P17948 1/20 0.36
PTGER3 P43115 4/20 0.35
PNP P00491 3/20 0.35
PI4KA P42356 1/20 0.35
PI4K2B Q8TCG2 1/20 0.35
PI4K2A Q9BTU6 1/20 0.35
PI4KB Q9UBF8 1/20 0.35
ERCC1 P07992 1/20 0.34
ERCC4 Q92889 1/20 0.34
PDE9A O76083 1/20 0.33
AURKA O14965 1/20 0.33
TTK P33981 1/20 0.33
AURKB Q96GD4 1/20 0.33
INCENP Q9NQS7 1/20 0.33
CDK4 P11802 1/20 0.32
CCND1 P24385 1/20 0.32

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
SCHEMBL23137215 0.81 ALDH1A1 (0.41) ALDH1A1PTGER3ERCC1ERCC4PDE9A
SCHEMBL23115857 0.76 TSHR (0.39) ALDH1A1PTGER3ERCC1ERCC4CYP1A2
SCHEMBL23116100 0.72 CYP1A2 (0.43) ALDH1A1CYP1A2
SCHEMBL12677346 0.70 PRKCI (0.38) CRBNPNPCYP1A2POLBPABPC1
SCHEMBL30833719 0.69 PI4KA (0.38) ALDH1A1DDB1CRBNPTGER3PI4KA
SCHEMBL13787655 0.69 ALDH1A1 (0.43) ALDH1A1ERCC1ERCC4CYP1A2POLB
SCHEMBL2145207 0.69 PI4KA (0.38) ALDH1A1DDB1CRBNPTGER3PI4KA
SCHEMBL889777 0.69 ALDH1A1 (0.56) ALDH1A1FGFR1FLT1PNPPI4KA
SCHEMBL19941793 0.69 PNP (0.42) DDB1CRBNPNPPOLBPABPC1
SCHEMBL17240963 0.68 PTGDR2 (0.39) ALDH1A1PDE9ACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110111393-A1 PNA Probes, Mixtures, Methods And Kits Pertaining To The Determination Of Mycoplasma and related Mollicutes HYLDIG-NIELSEN JENS J 2011-05-12 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-20110111393-A1 PNA Probes, Mixtures, Methods And Kits Pertaining To The Determination Of Mycoplasma and related Mollicutes NCL, MPG, POLI ALDH1A1 4686/4885DDB1 168/4885CRBN 1914/4885

“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.