SCHEMBL4518402

SCHEMBL4518402

CCc1ccc(C(=O)NC)c(C)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 3/20 0.59
NR1H4 Q96RI1 3/20 0.44
NPC1 O15118 2/20 0.42
EGFR P00533 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
AGTR1 P30556 1/20 0.41
ALDH1A1 P00352 2/20 0.41
EPHX2 P34913 1/20 0.41
TDP1 Q9NUW8 1/20 0.40
ESRRB O95718 1/20 0.40
ESRRG P62508 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
HTT P42858 1/20 0.40
LMNA P02545 1/20 0.39
MAPK1 P28482 1/20 0.39
NLRP1 Q9C000 1/20 0.39
TAS1R3 Q7RTX0 1/20 0.39
TAS1R1 Q7RTX1 1/20 0.39
TAS1R2 Q8TE23 1/20 0.39

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
SCHEMBL25934210 0.84 SMN1; SMN2 (0.45) PLK1NR1H4NPC1EGFRGAA
SCHEMBL9971028 0.81 PLK1 (0.53) PLK1NR1H4GAAMAPTALDH1A1
SCHEMBL31557906 0.80 ALDH1A1 (0.44) PLK1NR1H4GAAMAPTALDH1A1
SCHEMBL5502090 0.80 ALDH1A1 (0.49) PLK1GAAMAPTALDH1A1TDP1
SCHEMBL2343149 0.79 ALDH1A1 (0.55) PLK1NR1H4AGTR1ALDH1A1SMN1; SMN2
SCHEMBL9214669 0.79 ALDH1A1 (0.45) PLK1NR1H4NPC1EGFRGAA
SCHEMBL11806978 0.79 ALDH1A1 (0.45) PLK1NR1H4EGFRALDH1A1SMN1; SMN2
SCHEMBL23935701 0.79 PLK1 (0.42) PLK1NR1H4NPC1EGFRGAA
SCHEMBL22108797 0.78 PLK1 (0.50) PLK1NPC1GAAMAPTALDH1A1
SCHEMBL11278685 0.78 ALDH1A1 (0.44) PLK1NR1H4EGFRGAAMAPT

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-20120178743-A1 NOVEL ADENINE COMPOUND AND USE THEREOF DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2012-07-12 US disclosed
US-20120108566-A1 NICOTINAMIDES AS JAK KINASE MODULATORS PORTOLA PHARMACEUTICALS, INC. (US) 2012-05-03 US disclosed
US-8148371-B2 Adenine compound and use thereof DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2012-04-03 US disclosed
US-20100256118-A1 NOVEL ADENINE COMPOUND AND USE THEREOF DAINIPPON SUMITOMO PHARMA CO.,LTD. (JP) 2010-10-07 US disclosed
US-7754728-B2 Adenine compound and use thereof DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2010-07-13 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 (3 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-20100256118-A1 NOVEL ADENINE COMPOUND AND USE THEREOF ADORA1, P2RY10, HRH4 PLK1 3289/4885NR1H4 26/4885NPC1 470/4885
US-20120178743-A1 NOVEL ADENINE COMPOUND AND USE THEREOF ADORA1, HRH4, P2RY10 PLK1 2869/4885NR1H4 20/4885NPC1 709/4885
US-20120108566-A1 NICOTINAMIDES AS JAK KINASE MODULATORS JAK2, JAK1, NADK PLK1 641/4885NR1H4 3486/4885NPC1 949/4885

“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.