SCHEMBL12857027

SCHEMBL12857027

CS(=O)(=O)c1nc(N)c2ncn(C3CCCCO3)c2n1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFKB1 P19838 2/20 0.55
BLM P54132 2/20 0.55
MEN1 O00255 2/20 0.55
ALDH1A1 P00352 2/20 0.55
KMT2A Q03164 2/20 0.55
PI4KA P42356 2/20 0.55
PI4K2B Q8TCG2 2/20 0.55
PI4K2A Q9BTU6 2/20 0.55
PI4KB Q9UBF8 2/20 0.55
TP53 P04637 1/20 0.55
CYP2C9 P11712 1/20 0.55
MAPK1 P28482 1/20 0.55
HSD17B10 Q99714 1/20 0.55
APEX1 P27695 1/20 0.55
ADCY1 Q08828 1/20 0.55
YTHDC1 Q96MU7 1/20 0.51
CYP2C19 P33261 1/20 0.49
CYP1A2 P05177 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
CYP3A4 P08684 1/20 0.44

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
SCHEMBL10121595 0.82 PI4KA (0.61) NFKB1BLMMEN1ALDH1A1KMT2A
SCHEMBL11360552 0.82 CYP1A2 (0.60) NFKB1BLMALDH1A1PI4KAPI4K2B
SCHEMBL17262848 0.82 PI4KA (0.64) NFKB1BLMMEN1ALDH1A1KMT2A
SCHEMBL4149709 0.81 MEN1 (0.52) NFKB1BLMMEN1ALDH1A1KMT2A
SCHEMBL566733 0.80 TP53 (0.61) NFKB1BLMMEN1ALDH1A1KMT2A
SCHEMBL243515 0.80 YTHDC1 (0.69) NFKB1BLMMEN1ALDH1A1KMT2A
SCHEMBL29354479 0.80 YTHDC1 (0.69) NFKB1BLMMEN1ALDH1A1KMT2A
SCHEMBL31124747 0.80 PI4KA (0.61) NFKB1BLMMEN1ALDH1A1KMT2A
SCHEMBL20275396 0.80 YTHDC1 (0.69) NFKB1BLMMEN1ALDH1A1KMT2A
SCHEMBL13477905 0.79 TP53 (0.57) NFKB1BLMMEN1ALDH1A1KMT2A

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-20110028715-A1 NOVEL ADENINE COMPOUND DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2011-02-03 US disclosed
US-20110028715-A1 NOVEL ADENINE COMPOUND DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2011-02-03 US disclosed
US-20100093998-A1 NOVEL ADENINE COMPOUND DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2010-04-15 US disclosed
US-20100093998-A1 NOVEL ADENINE COMPOUND DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2010-04-15 US disclosed
EP-1292604-B1 2-AMINOCARBONYL-9H-PURINE DERIVATIVES PFIZER LTD (GB) 2009-05-13 EP 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 (2 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-20110028715-A1 NOVEL ADENINE COMPOUND NR0B2, NR0B1, BRD7 NFKB1 2702/4885BLM 2360/4885MEN1 3398/4885
US-20100093998-A1 NOVEL ADENINE COMPOUND NR0B2, NR0B1, BRD7 NFKB1 2564/4885BLM 2380/4885MEN1 3439/4885

“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.