SCHEMBL5357967

SCHEMBL5357967

CCc1ccccc1Nc1ncnc(Cl)c1N

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 9/20 0.57
MEN1 O00255 1/20 0.57
MAPT P10636 3/20 0.54
WDR5 P61964 7/20 0.44
P2RX7 Q99572 1/20 0.43
EGFR P00533 1/20 0.43
GAA P10253 2/20 0.43
GALR3 O60755 1/20 0.43
KDM4C Q9H3R0 1/20 0.42
KDM4E B2RXH2 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
LMNA P02545 1/20 0.41
HTT P42858 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
RAB9A P51151 2/20 0.40
ALDH1A1 P00352 1/20 0.40
CDK5 Q00535 1/20 0.40
CDK5R1 Q15078 1/20 0.40
MAPK14 Q16539 1/20 0.40

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
SCHEMBL839585 0.81 HTT (0.51) KMT2AMAPTWDR5EGFRGALR3
SCHEMBL839219 0.80 TTBK1 (0.57) KMT2AMEN1MAPTWDR5EGFR
SCHEMBL8307880 0.78 MEN1 (0.58) KMT2AMEN1MAPTP2RX7EGFR
SCHEMBL16774914 0.78 PTK2 (0.54) KMT2AMEN1MAPTWDR5EGFR
SCHEMBL1898192 0.73 EGFR (0.53) KMT2AMEN1MAPTEGFRGAA
SCHEMBL6241529 0.72 EGFR (0.52) EGFRKDM4CLMNA
SCHEMBL2461566 0.71 EGFR (0.68) KMT2AMEN1EGFRGAA
SCHEMBL4929341 0.71 KDM4C (0.57) KMT2AMAPTEGFRGALR3KDM4C
SCHEMBL1548694 0.70 ALDH1A1 (0.54) KMT2AMEN1MAPTGAAKDM4E
SCHEMBL4060781 0.70 GALR3 (0.56) KMT2AMEN1MAPTWDR5GAA

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-7285543-B2 Purine inhibitors of fructose-1,6-bisphosphatase METABASIS THERAPEUTICS, INC. (US) 2007-10-23 US disclosed
US-20050277619-A1 Novel purine inhibitors of fructose-1,6-bisphosphatase DANG QUN 2005-12-15 US disclosed
US-6967193-B1 Purine inhibitors of fructose-1,6-bisphosphatase METABASIS THERAPEUTICS, INC. (US) 2005-11-22 US disclosed
US-6284748-B1 ANTIDIABETIC AGENT METABASIS THERAPEUTICS, INC. 2001-09-04 US disclosed
WO-1998039344-A9 NOVEL PURINE INHIBITORS OF FRUCTOSE-1,6-BISPHOSPHATASE 1999-01-21 WO disclosed
WO-1998039344-A1 NOVEL PURINE INHIBITORS OF FRUCTOSE-1,6-BISPHOSPHATASE METABASIS THERAPEUTICS, INC. (US) 1998-09-11 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-20050277619-A1 Novel purine inhibitors of fructose-1,6-bisphosphatase FBP1, PNP, PPA1 KMT2A 3834/4885MEN1 1784/4885MAPT 3681/4885

“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.