SCHEMBL5551189

SCHEMBL5551189

CSc1nc(N)c(N)c(=O)[nH]1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.47
ALDH1A1 P00352 5/20 0.46
KMT2A Q03164 4/20 0.46
MEN1 O00255 3/20 0.46
HPGD P15428 3/20 0.46
MAPT P10636 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.44
POLB P06746 1/20 0.43
NUDT1 P36639 1/20 0.41
XDH P47989 1/20 0.39
KDM4E B2RXH2 1/20 0.37
PPARG P37231 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
NCOR2 Q9Y618 1/20 0.37
GAA P10253 1/20 0.37
KDM6B O15054 1/20 0.37
KDM4A O75164 1/20 0.37
KDM4D Q6B0I6 1/20 0.37
HIF1AN Q9NWT6 1/20 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
SCHEMBL18876496 0.77 HTT (0.42) HTTALDH1A1KMT2AMEN1HPGD
SCHEMBL5549673 0.77 CDK2 (0.59) HTTALDH1A1KMT2AMEN1HPGD
SCHEMBL11919296 0.72 L3MBTL1 (0.61) HTTALDH1A1KMT2AMEN1HPGD
SCHEMBL22715212 0.71 ALDH1A1 (0.65) ALDH1A1KMT2AMEN1HPGDMAPT
SCHEMBL15457568 0.71 HTT (0.47) HTTALDH1A1KMT2AMEN1HPGD
SCHEMBL8725004 0.71 HTT (0.39) HTTALDH1A1KMT2AMEN1HPGD
SCHEMBL1271646 0.70 CDK1 (0.56) ALDH1A1KMT2AMEN1HPGDMAPT
Hydrochloric Acid SCHEMBL12474436 0.69 CDK1 (0.54) ALDH1A1KMT2AMEN1HPGDMAPT
SCHEMBL9879120 0.68 HTT (0.63) HTTALDH1A1KMT2AMEN1HPGD
SCHEMBL3700683 0.67 ALDH1A1 (0.46) ALDH1A1KMT2AMEN1HPGDMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016006974-A2 NOVEL TRIAZOLOPYRIMIDINONE OR TRIAZOLOPYRIDINONE DERIVATIVES, AND USE THEREOF ST PHARM CO., LTD. (KR) 2016-01-14 WO disclosed
WO-2012064674-A1 MATERIALS AND METHODS FOR IMMUNOASSAY OF PTERINS ABBOTT LABORATORIES (US) 2012-05-18 WO disclosed
US-20120115244-A1 MATERIALS AND METHODS FOR IMMUNOASSAY OF PTERINS ABBOTT LABORATORIES (US) 2012-05-10 US disclosed
US-20120115244-A1 MATERIALS AND METHODS FOR IMMUNOASSAY OF PTERINS ABBOTT LABORATORIES (US) 2012-05-10 US disclosed
EP-0759927-B1 PTERIDINE NUCLEOTIDE ANALOGS AS FLUORESCENT DNA PROBES US GOV HEALTH & HUMAN SERV (US) 1998-06-24 EP disclosed
US-5612468-A GENETIC ENGINEERING THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1997-03-18 US disclosed
EP-0759927-A1 PTERIDINE NUCLEOTIDE ANALOGS AS FLUORESCENT DNA PROBES THE GOVERNMENT OF THE UNITED STATES OF AMERICA as represented by the SECRETARY OF THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1997-03-05 EP disclosed
US-5525711-A MONOMERS FOR DNA AMPLIFICATION PROCEDURES THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1996-06-11 US disclosed
WO-1995031469-A1 PTERIDINE NUCLEOTIDE ANALOGS AS FLUORESCENT DNA PROBES THE GOVERNMENT OF THE UNITED STATES OF AMERICA, REPRESENTED BY THE SECRETARY OF THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1995-11-23 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-20120115244-A1 MATERIALS AND METHODS FOR IMMUNOASSAY OF PTERINS SPR, CD68, CMKLR2 HTT 2791/4885ALDH1A1 2660/4885KMT2A 4072/4885

“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.